3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol

C12H15ClF3NO — CID 81414844

IUPAC3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H15ClF3NO/c1-11(2,7-18)6-17-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,17-18H,6-7H2,1-2H3
InChIKeyCTQRSJJDHFOJSR-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.79
Rot. Bonds4

About 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol

3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol (PubChem CID 81414844) has the molecular formula C12H15ClF3NO and a molecular weight of 281.70 g/mol. Its IUPAC name is 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
PubChem CID81414844
Molecular FormulaC12H15ClF3NO
Molecular Weight281.70 g/mol
Exact Mass281.08
IUPAC Name3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H15ClF3NO/c1-11(2,7-18)6-17-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,17-18H,6-7H2,1-2H3
InChIKeyCTQRSJJDHFOJSR-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81411469
methyl 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropanoate
CID 79629134
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
CID 28950851
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
CID 28950675
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813361
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
CID 61492678
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
CID 43152515
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 28950569
2-chloro-N-(2,2-diethoxyethyl)-6-(trifluoromethyl)aniline
CID 81094009
2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol (CID 81414844) is 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol?
The InChIKey is CTQRSJJDHFOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO/c1-11(2,7-18)6-17-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,17-18H,6-7H2,1-2H3.
What are the key properties of 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol?
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol has a molecular weight of 281.70 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81414844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).