(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol

C9H9F4NO — CID 131266456

IUPAC(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
SMILESN[C@@H](c1cc(F)ccc1F)C(F)(F)CO
InChIInChI=1S/C9H9F4NO/c10-5-1-2-7(11)6(3-5)8(14)9(12,13)4-15/h1-3,8,15H,4,14H2/t8-/m0/s1
InChIKeyAEYWHLNWWVHDOY-QMMMGPOBSA-N
MW223.17 g/mol
LogP1.59
Rot. Bonds3

About (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol

(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol (PubChem CID 131266456) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
PubChem CID131266456
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
SMILESN[C@@H](c1cc(F)ccc1F)C(F)(F)CO
InChIInChI=1S/C9H9F4NO/c10-5-1-2-7(11)6(3-5)8(14)9(12,13)4-15/h1-3,8,15H,4,14H2/t8-/m0/s1
InChIKeyAEYWHLNWWVHDOY-QMMMGPOBSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131518371
(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171245024
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246509
(3S)-3-amino-3-(2-chloro-4-fluorophenyl)-2,2-difluoropropan-1-ol
CID 131260028
(3R)-3-amino-2,2-difluoro-3-(2,3,5-trifluorophenyl)propan-1-ol
CID 131611321
(3S)-3-amino-2,2-difluoro-3-(5-fluoro-2-nitrophenyl)propan-1-ol
CID 171248356
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-fluorophenol
CID 131559931
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4-methylphenyl)propan-1-ol
CID 131503878
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol
CID 171251040
6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride
CID 171253128
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol?
The IUPAC name of (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol (CID 131266456) is (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol is N[C@@H](c1cc(F)ccc1F)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol?
The InChIKey is AEYWHLNWWVHDOY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-5-1-2-7(11)6(3-5)8(14)9(12,13)4-15/h1-3,8,15H,4,14H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol?
(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol has a molecular weight of 223.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 131266456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).