5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol

C15H10F3NO2S — CID 54018941

IUPAC5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
SMILESNc1oc(-c2cccs2)c(O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)9-4-1-3-8(7-9)11-12(20)13(21-14(11)19)10-5-2-6-22-10/h1-7,20H,19H2
InChIKeyKXOIGQVJOGMIGI-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.98
Rot. Bonds2

About 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol

5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol (PubChem CID 54018941) has the molecular formula C15H10F3NO2S and a molecular weight of 325.31 g/mol. Its IUPAC name is 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol.

Molecular Properties

Compound Name5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
PubChem CID54018941
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC Name5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
SMILESNc1oc(-c2cccs2)c(O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)9-4-1-3-8(7-9)11-12(20)13(21-14(11)19)10-5-2-6-22-10/h1-7,20H,19H2
InChIKeyKXOIGQVJOGMIGI-UHFFFAOYSA-N
XLogP4.98
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
CID 54210740
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
5-(5-thiophen-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 3590717
5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile
CID 82045456
5-amino-2-phenyl-4-thiophen-2-ylfuran-3-carbonitrile
CID 82045455
3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine
CID 10880955
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 43158288
methyl 2-[[4-hydroxy-5-phenyl-3-[3-(trifluoromethyl)phenyl]furan-2-yl]amino]butanoate
CID 54518861
2-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 46739890

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The IUPAC name of 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol (CID 54018941) is 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol.
What is the SMILES notation for 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The canonical SMILES for 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol is Nc1oc(-c2cccs2)c(O)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The InChIKey is KXOIGQVJOGMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2S/c16-15(17,18)9-4-1-3-8(7-9)11-12(20)13(21-14(11)19)10-5-2-6-22-10/h1-7,20H,19H2.
What are the key properties of 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol has a molecular weight of 325.31 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol is sourced from PubChem (CID 54018941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).