3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol

C14H13F4NO2 — CID 170875053

IUPAC3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
SMILESNC(CCO)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H13F4NO2/c15-10-2-1-8(7-9(10)14(16,17)18)12-3-4-13(21-12)11(19)5-6-20/h1-4,7,11,20H,5-6,19H2
InChIKeyVSQINDNSSGBJJR-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.49
Rot. Bonds4

About 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol

3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol (PubChem CID 170875053) has the molecular formula C14H13F4NO2 and a molecular weight of 303.26 g/mol. Its IUPAC name is 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
PubChem CID170875053
Molecular FormulaC14H13F4NO2
Molecular Weight303.26 g/mol
Exact Mass303.09
IUPAC Name3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
SMILESNC(CCO)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H13F4NO2/c15-10-2-1-8(7-9(10)14(16,17)18)12-3-4-13(21-12)11(19)5-6-20/h1-4,7,11,20H,5-6,19H2
InChIKeyVSQINDNSSGBJJR-UHFFFAOYSA-N
XLogP3.49
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol
CID 61228246
1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-amine
CID 64855524
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
CID 61229603
1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine
CID 104780350
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63086504
1-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
CID 87651925
3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 170874623
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 107289774
2-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]butanoic acid
CID 67022207
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
(3S)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171228457

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol (CID 170875053) is 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol is NC(CCO)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1.
What is the InChIKey of 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The InChIKey is VSQINDNSSGBJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c15-10-2-1-8(7-9(10)14(16,17)18)12-3-4-13(21-12)11(19)5-6-20/h1-4,7,11,20H,5-6,19H2.
What are the key properties of 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol has a molecular weight of 303.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol is sourced from PubChem (CID 170875053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).