(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride

C9H12ClF2NO — CID 126963755

IUPAC(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO.ClH/c10-6-1-2-7(8(11)5-6)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H/t9-;/m0./s1
InChIKeyFEGMZSORDAHUSY-FVGYRXGTSA-N
MW223.65 g/mol
LogP1.77
Rot. Bonds3

About (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride

(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride (PubChem CID 126963755) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
PubChem CID126963755
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO.ClH/c10-6-1-2-7(8(11)5-6)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H/t9-;/m0./s1
InChIKeyFEGMZSORDAHUSY-FVGYRXGTSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
CID 28931114
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415
4-(1-amino-3-hydroxypropyl)-3-fluorobenzonitrile
CID 55298049
2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol
CID 55265560

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride (CID 126963755) is (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1ccc(F)cc1F.
What is the InChIKey of (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is FEGMZSORDAHUSY-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c10-6-1-2-7(8(11)5-6)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride?
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 1.77, 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-(2,4-difluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 126963755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).