(3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol

C7H10FNO2 — CID 130691579

IUPAC(3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol
SMILESN[C@@H](CCO)c1cocc1F
InChIInChI=1S/C7H10FNO2/c8-6-4-11-3-5(6)7(9)1-2-10/h3-4,7,10H,1-2,9H2/t7-/m0/s1
InChIKeyBVPRWNQKSIGMAU-ZETCQYMHSA-N
MW159.16 g/mol
LogP0.80
Rot. Bonds3

About (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol

(3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol (PubChem CID 130691579) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol
PubChem CID130691579
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name(3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol
SMILESN[C@@H](CCO)c1cocc1F
InChIInChI=1S/C7H10FNO2/c8-6-4-11-3-5(6)7(9)1-2-10/h3-4,7,10H,1-2,9H2/t7-/m0/s1
InChIKeyBVPRWNQKSIGMAU-ZETCQYMHSA-N
XLogP0.80
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-1-amino-3-hydroxypropyl]furan-3-ol
CID 130664913
(3R)-3-amino-3-(4-fluorothiophen-3-yl)propan-1-ol
CID 130642237
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
4-(1-amino-3-hydroxypropyl)-3-fluorobenzonitrile
CID 55298049
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
3-[(1R)-1-amino-3-hydroxypropyl]-6-fluoro-2-hydroxybenzonitrile
CID 131525644
3-(1-amino-3-hydroxypropyl)-4-fluorobenzonitrile
CID 55295827
(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 131334834
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435
3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol
CID 84788312
(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine
CID 130612590

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol (CID 130691579) is (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol is N[C@@H](CCO)c1cocc1F.
What is the InChIKey of (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol?
The InChIKey is BVPRWNQKSIGMAU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-6-4-11-3-5(6)7(9)1-2-10/h3-4,7,10H,1-2,9H2/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol?
(3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol has a molecular weight of 159.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-fluorofuran-3-yl)propan-1-ol is sourced from PubChem (CID 130691579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).