(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol

C10H11ClF3NO — CID 131404288

IUPAC(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO/c1-5(16)9(15)7-4-6(10(12,13)14)2-3-8(7)11/h2-5,9,16H,15H2,1H3/t5-,9+/m0/s1
InChIKeyABVUZGPYWNENAN-SSDLBLMSSA-N
MW253.65 g/mol
LogP2.74
Rot. Bonds2

About (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol

(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 131404288) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID131404288
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO/c1-5(16)9(15)7-4-6(10(12,13)14)2-3-8(7)11/h2-5,9,16H,15H2,1H3/t5-,9+/m0/s1
InChIKeyABVUZGPYWNENAN-SSDLBLMSSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171160035
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
CID 171160024
(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171161458
2-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117349702
(1R,3R)-3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol
CID 171237640
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine
CID 171313176
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
(1S,3R)-3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-ol
CID 171237488
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229213
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271952

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol (CID 131404288) is (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol is C[C@H](O)[C@@H](N)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is ABVUZGPYWNENAN-SSDLBLMSSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-5(16)9(15)7-4-6(10(12,13)14)2-3-8(7)11/h2-5,9,16H,15H2,1H3/t5-,9+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol?
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 253.65 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 131404288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).