(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol

C9H11F2NO — CID 162341885

IUPAC(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
SMILESN[C@@H](CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c10-7-1-6(2-8(11)4-7)3-9(12)5-13/h1-2,4,9,13H,3,5,12H2/t9-/m1/s1
InChIKeyZFNQOFXFLOCCTI-SECBINFHSA-N
MW187.19 g/mol
LogP0.83
Rot. Bonds3

About (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol

(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol (PubChem CID 162341885) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
PubChem CID162341885
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
SMILESN[C@@H](CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c10-7-1-6(2-8(11)4-7)3-9(12)5-13/h1-2,4,9,13H,3,5,12H2/t9-/m1/s1
InChIKeyZFNQOFXFLOCCTI-SECBINFHSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629
2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
CID 105411055
(2S)-4-chloro-1-(3,5-difluorophenyl)butan-2-amine
CID 89258105
2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 87789027
5-(2-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170891858
1-(3,5-difluorophenyl)-4-methoxybutan-2-amine
CID 115601754
2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol
CID 130989106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol (CID 162341885) is (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol is N[C@@H](CO)Cc1cc(F)cc(F)c1.
What is the InChIKey of (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is ZFNQOFXFLOCCTI-SECBINFHSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-7-1-6(2-8(11)4-7)3-9(12)5-13/h1-2,4,9,13H,3,5,12H2/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol?
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 187.19 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 162341885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).