(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol

C12H15ClF3NO — CID 171242218

IUPAC(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H15ClF3NO/c1-11(2,6-18)10(17)7-3-4-9(13)8(5-7)12(14,15)16/h3-5,10,18H,6,17H2,1-2H3/t10-/m1/s1
InChIKeyOXVZXUZPYYNZFE-SNVBAGLBSA-N
MW281.71 g/mol
LogP3.38
Rot. Bonds3

About (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol

(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol (PubChem CID 171242218) has the molecular formula C12H15ClF3NO and a molecular weight of 281.71 g/mol. Its IUPAC name is (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
PubChem CID171242218
Molecular FormulaC12H15ClF3NO
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H15ClF3NO/c1-11(2,6-18)10(17)7-3-4-9(13)8(5-7)12(14,15)16/h3-5,10,18H,6,17H2,1-2H3/t10-/m1/s1
InChIKeyOXVZXUZPYYNZFE-SNVBAGLBSA-N
XLogP3.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248946
(3S)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247249
(3S)-3-amino-3-(3-chloro-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131397934
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol
CID 131387812
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171207674
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
CID 171244725
(1R,2S)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171263350
(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol
CID 131396220
(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227223
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207635
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171207650

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol (CID 171242218) is (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol is CC(C)(CO)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol?
The InChIKey is OXVZXUZPYYNZFE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClF3NO/c1-11(2,6-18)10(17)7-3-4-9(13)8(5-7)12(14,15)16/h3-5,10,18H,6,17H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol?
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol has a molecular weight of 281.71 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171242218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).