(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol

C9H9ClF3NO — CID 66514954

IUPAC(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
SMILESN[C@@H](CO)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m0/s1
InChIKeyREUIRPFEEJVRNN-QMMMGPOBSA-N
MW239.62 g/mol
LogP2.35
Rot. Bonds2

About (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol

(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 66514954) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
PubChem CID66514954
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
SMILESN[C@@H](CO)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m0/s1
InChIKeyREUIRPFEEJVRNN-QMMMGPOBSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171234941
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171251476
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 170896665
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171234961

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol (CID 66514954) is (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol is N[C@@H](CO)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is REUIRPFEEJVRNN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol?
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 239.62 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66514954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).