1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol

C12H14ClF3O — CID 156849313

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3O/c1-7(2)5-11(17)8-3-4-10(13)9(6-8)12(14,15)16/h3-4,6-7,11,17H,5H2,1-2H3
InChIKeyIJUMKAVBBFIGNR-UHFFFAOYSA-N
MW266.69 g/mol
LogP4.44
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol (PubChem CID 156849313) has the molecular formula C12H14ClF3O and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
PubChem CID156849313
Molecular FormulaC12H14ClF3O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3O/c1-7(2)5-11(17)8-3-4-10(13)9(6-8)12(14,15)16/h3-4,6-7,11,17H,5H2,1-2H3
InChIKeyIJUMKAVBBFIGNR-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
(1R,2S)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171263350
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
4-chloro-3-(trifluoromethyl)benzaldehyde;1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol
CID 159228446
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269027
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171242218
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol
CID 107292150
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
(3S)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248946
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
S-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl] ethanethioate
CID 170822451
(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227223

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol (CID 156849313) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol is CC(C)CC(O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol?
The InChIKey is IJUMKAVBBFIGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3O/c1-7(2)5-11(17)8-3-4-10(13)9(6-8)12(14,15)16/h3-4,6-7,11,17H,5H2,1-2H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol has a molecular weight of 266.69 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol is sourced from PubChem (CID 156849313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).