(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol

C7H9F2NO2 — CID 130700545

IUPAC(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
SMILESN[C@@H](c1ccco1)C(F)(F)CO
InChIInChI=1S/C7H9F2NO2/c8-7(9,4-11)6(10)5-2-1-3-12-5/h1-3,6,11H,4,10H2/t6-/m0/s1
InChIKeyRKVKXDSDQDJBCX-LURJTMIESA-N
MW177.15 g/mol
LogP0.91
Rot. Bonds3

About (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol

(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol (PubChem CID 130700545) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
PubChem CID130700545
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC Name(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
SMILESN[C@@H](c1ccco1)C(F)(F)CO
InChIInChI=1S/C7H9F2NO2/c8-7(9,4-11)6(10)5-2-1-3-12-5/h1-3,6,11H,4,10H2/t6-/m0/s1
InChIKeyRKVKXDSDQDJBCX-LURJTMIESA-N
XLogP0.91
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
CID 130059387
(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
CID 131879129
2-amino-2-(furan-2-yl)ethanol
CID 54048773
(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol
CID 130649581
3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine
CID 103309644
(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241028
(3S)-3-amino-3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 55292739
2,2-difluoro-1,3-bis(furan-2-yl)propane-1,3-diol
CID 10105858
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
CID 7171782
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
(3S)-4,4,4-trifluoro-3-(furan-2-yl)butanoic acid
CID 129375360

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol (CID 130700545) is (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol is N[C@@H](c1ccco1)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol?
The InChIKey is RKVKXDSDQDJBCX-LURJTMIESA-N. The full InChI is InChI=1S/C7H9F2NO2/c8-7(9,4-11)6(10)5-2-1-3-12-5/h1-3,6,11H,4,10H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol?
(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol has a molecular weight of 177.15 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 130700545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).