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

C9H11F2NO — CID 131002091

IUPAC(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-5(13)9(12)6-2-3-7(10)8(11)4-6/h2-5,9,13H,12H2,1H3/t5?,9-/m1/s1
InChIKeyBKMCHPFXUMNRLJ-OLAZFDQMSA-N
MW187.19 g/mol
LogP1.35
Rot. Bonds2

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

(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol (PubChem CID 131002091) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
PubChem CID131002091
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-5(13)9(12)6-2-3-7(10)8(11)4-6/h2-5,9,13H,12H2,1H3/t5?,9-/m1/s1
InChIKeyBKMCHPFXUMNRLJ-OLAZFDQMSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
CID 69010360
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
methyl (2R,3S)-3-amino-3-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 57167178
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 142693429

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol (CID 131002091) is (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol is CC(O)[C@@H](N)c1ccc(F)c(F)c1.
What is the InChIKey of (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol?
The InChIKey is BKMCHPFXUMNRLJ-OLAZFDQMSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(13)9(12)6-2-3-7(10)8(11)4-6/h2-5,9,13H,12H2,1H3/t5?,9-/m1/s1.
What are the key properties of (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol?
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol has a molecular weight of 187.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol is sourced from PubChem (CID 131002091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).