4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde

C102H66F7N3O18S6 — CID 157072780

IUPAC4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1c(F)cccc1-c1ccsc1.O=Cc1cc(-c2ccco2)cs1.O=Cc1cc(-c2ccsc2)ccc1F.O=Cc1cc(-c2ccsc2)cs1.O=Cc1ccc(-c2ccco2)o1.O=Cc1ccc(-c2ccsc2)o1.O=Cc1ccc(F)cc1-c1ccco1.O=Cc1cccc(-c2ccco2)n1.O=Cc1cccnc1-c1cccc(OC(F)(F)F)c1.O=Cc1nc(-c2ccco2)ccc1F
InChIInChI=1S/C13H8F3NO2.C11H7FO2.2C11H7FOS.C10H6FNO2.C10H7NO2.C9H6O3.2C9H6O2S.C9H6OS2/c14-13(15,16)19-11-5-1-3-9(7-11)12-10(8-18)4-2-6-17-12;12-9-4-3-8(7-13)10(6-9)11-2-1-5-14-11;12-11-2-1-8(5-10(11)6-13)9-3-4-14-7-9;12-11-3-1-2-9(10(11)6-13)8-4-5-14-7-8;11-7-3-4-8(12-9(7)6-13)10-2-1-5-14-10;12-7-8-3-1-4-9(11-8)10-5-2-6-13-10;10-6-7-3-4-9(12-7)8-2-1-5-11-8;10-5-8-1-2-9(11-8)7-3-4-12-6-7;10-5-8-4-7(6-12-8)9-2-1-3-11-9;10-4-9-3-8(6-12-9)7-1-2-11-5-7/h1-8H;3*1-7H;1-6H;1-7H;4*1-6H
InChIKeyACPXNOBBTXAJRN-UHFFFAOYSA-N
MW1947.04 g/mol
LogP28.82
Rot. Bonds21

About 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde

4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde (PubChem CID 157072780) has the molecular formula C102H66F7N3O18S6 and a molecular weight of 1947.04 g/mol. Its IUPAC name is 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
PubChem CID157072780
Molecular FormulaC102H66F7N3O18S6
Molecular Weight1947.04 g/mol
Exact Mass1945.26
IUPAC Name4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1c(F)cccc1-c1ccsc1.O=Cc1cc(-c2ccco2)cs1.O=Cc1cc(-c2ccsc2)ccc1F.O=Cc1cc(-c2ccsc2)cs1.O=Cc1ccc(-c2ccco2)o1.O=Cc1ccc(-c2ccsc2)o1.O=Cc1ccc(F)cc1-c1ccco1.O=Cc1cccc(-c2ccco2)n1.O=Cc1cccnc1-c1cccc(OC(F)(F)F)c1.O=Cc1nc(-c2ccco2)ccc1F
InChIInChI=1S/C13H8F3NO2.C11H7FO2.2C11H7FOS.C10H6FNO2.C10H7NO2.C9H6O3.2C9H6O2S.C9H6OS2/c14-13(15,16)19-11-5-1-3-9(7-11)12-10(8-18)4-2-6-17-12;12-9-4-3-8(7-13)10(6-9)11-2-1-5-14-11;12-11-2-1-8(5-10(11)6-13)9-3-4-14-7-9;12-11-3-1-2-9(10(11)6-13)8-4-5-14-7-8;11-7-3-4-8(12-9(7)6-13)10-2-1-5-14-10;12-7-8-3-1-4-9(11-8)10-5-2-6-13-10;10-6-7-3-4-9(12-7)8-2-1-5-11-8;10-5-8-1-2-9(11-8)7-3-4-12-6-7;10-5-8-4-7(6-12-8)9-2-1-3-11-9;10-4-9-3-8(6-12-9)7-1-2-11-5-7/h1-8H;3*1-7H;1-6H;1-7H;4*1-6H
InChIKeyACPXNOBBTXAJRN-UHFFFAOYSA-N
XLogP28.82
TPSA310.58 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001947.04
LogP ≤ 528.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde with MolForge

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Related Compounds

1-[2-[(Dimethylamino)methyl]phenyl]-4-(furan-2-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(furan-2-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(furan-2-yl)butane-1,4-dione;1-(furan-2-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(furan-2-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(furan-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-3-yl-4-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-thiophen-2-ylbutane-1,4-dione
CID 157357956
1-[2-[(Dimethylamino)methyl]phenyl]-4-(furan-2-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-thiophen-2-ylbutane-1,4-dione;1-(2-ethylphenyl)-4-(furan-2-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 158201071
1-[2-[(Dimethylamino)methyl]phenyl]-4-(furan-2-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(furan-2-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(furan-2-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-(furan-2-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(furan-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-thiophen-2-ylbutane-1,4-dione;1-thiophen-2-yl-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 159084087
1-(1-Benzofuran-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-ethylphenyl)butane-1,4-dione
CID 159936093
CID 158040849
CID 158040849

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde (CID 157072780) is 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde is O=Cc1c(F)cccc1-c1ccsc1.O=Cc1cc(-c2ccco2)cs1.O=Cc1cc(-c2ccsc2)ccc1F.O=Cc1cc(-c2ccsc2)cs1.O=Cc1ccc(-c2ccco2)o1.O=Cc1ccc(-c2ccsc2)o1.O=Cc1ccc(F)cc1-c1ccco1.O=Cc1cccc(-c2ccco2)n1.O=Cc1cccnc1-c1cccc(OC(F)(F)F)c1.O=Cc1nc(-c2ccco2)ccc1F.
What is the InChIKey of 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The InChIKey is ACPXNOBBTXAJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2.C11H7FO2.2C11H7FOS.C10H6FNO2.C10H7NO2.C9H6O3.2C9H6O2S.C9H6OS2/c14-13(15,16)19-11-5-1-3-9(7-11)12-10(8-18)4-2-6-17-12;12-9-4-3-8(7-13)10(6-9)11-2-1-5-14-11;12-11-2-1-8(5-10(11)6-13)9-3-4-14-7-9;12-11-3-1-2-9(10(11)6-13)8-4-5-14-7-8;11-7-3-4-8(12-9(7)6-13)10-2-1-5-14-10;12-7-8-3-1-4-9(11-8)10-5-2-6-13-10;10-6-7-3-4-9(12-7)8-2-1-5-11-8;10-5-8-1-2-9(11-8)7-3-4-12-6-7;10-5-8-4-7(6-12-8)9-2-1-3-11-9;10-4-9-3-8(6-12-9)7-1-2-11-5-7/h1-8H;3*1-7H;1-6H;1-7H;4*1-6H.
What are the key properties of 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde has a molecular weight of 1947.04 g/mol, XLogP of 28.82, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(furan-2-yl)benzaldehyde;3-fluoro-6-(furan-2-yl)pyridine-2-carbaldehyde;2-fluoro-5-thiophen-3-ylbenzaldehyde;2-fluoro-6-thiophen-3-ylbenzaldehyde;5-(furan-2-yl)furan-2-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;4-(furan-2-yl)thiophene-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;4-thiophen-3-ylthiophene-2-carbaldehyde;2-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 157072780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).