(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol

C10H13F2NO2 — CID 171239633

IUPAC(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc([C@@H](N)C(F)(F)CO)c1
InChIInChI=1S/C10H13F2NO2/c1-15-8-4-2-3-7(5-8)9(13)10(11,12)6-14/h2-5,9,14H,6,13H2,1H3/t9-/m1/s1
InChIKeyLPBISXSOQMDOTO-SECBINFHSA-N
MW217.22 g/mol
LogP1.32
Rot. Bonds4

About (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol

(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 171239633) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
PubChem CID171239633
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc([C@@H](N)C(F)(F)CO)c1
InChIInChI=1S/C10H13F2NO2/c1-15-8-4-2-3-7(5-8)9(13)10(11,12)6-14/h2-5,9,14H,6,13H2,1H3/t9-/m1/s1
InChIKeyLPBISXSOQMDOTO-SECBINFHSA-N
XLogP1.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171241497
(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171239433
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171239631
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
(3R)-3-amino-2,2-difluoro-3-(3-phenylphenyl)propan-1-ol
CID 171244503
(3R)-3-amino-2,2-difluoro-3-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 171241583
(3S)-3-amino-3-(2-bromo-5-methoxyphenyl)-2,2-difluoropropan-1-ol
CID 171248012
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol
CID 171238973

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol (CID 171239633) is (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol is COc1cccc([C@@H](N)C(F)(F)CO)c1.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is LPBISXSOQMDOTO-SECBINFHSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-15-8-4-2-3-7(5-8)9(13)10(11,12)6-14/h2-5,9,14H,6,13H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol?
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 217.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 171239633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).