(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol

C10H13F2NO — CID 130613465

IUPAC(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccccc1C(F)F
InChIInChI=1S/C10H13F2NO/c1-6(14)9(13)7-4-2-3-5-8(7)10(11)12/h2-6,9-10,14H,13H2,1H3/t6-,9-/m1/s1
InChIKeyCIOHFHLKNSUNPE-HZGVNTEJSA-N
MW201.22 g/mol
LogP2.00
Rot. Bonds3

About (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol

(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol (PubChem CID 130613465) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
PubChem CID130613465
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccccc1C(F)F
InChIInChI=1S/C10H13F2NO/c1-6(14)9(13)7-4-2-3-5-8(7)10(11)12/h2-6,9-10,14H,13H2,1H3/t6-,9-/m1/s1
InChIKeyCIOHFHLKNSUNPE-HZGVNTEJSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
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(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
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(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
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1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
CID 130989539
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol (CID 130613465) is (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol is C[C@@H](O)[C@@H](N)c1ccccc1C(F)F.
What is the InChIKey of (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol?
The InChIKey is CIOHFHLKNSUNPE-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(14)9(13)7-4-2-3-5-8(7)10(11)12/h2-6,9-10,14H,13H2,1H3/t6-,9-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol?
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 130613465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).