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

C9H11F2NO — CID 130697354

IUPAC(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3/t5-,9+/m1/s1
InChIKeyCKQXOSDBVJFTPB-ANLVUFKYSA-N
MW187.19 g/mol
LogP1.35
Rot. Bonds2

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

(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol (PubChem CID 130697354) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
PubChem CID130697354
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3/t5-,9+/m1/s1
InChIKeyCKQXOSDBVJFTPB-ANLVUFKYSA-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-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S)-1-amino-1-(2-amino-4-fluorophenyl)propan-2-ol
CID 130707231
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol (CID 130697354) is (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol is C[C@@H](O)[C@H](N)c1cc(F)ccc1F.
What is the InChIKey of (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol?
The InChIKey is CKQXOSDBVJFTPB-ANLVUFKYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3/t5-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol?
(1R,2R)-1-amino-1-(2,5-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 (1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 130697354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).