2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol

C12H15F3O — CID 64666701

IUPAC2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCC(CO)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O/c1-9(8-16)2-3-10-4-6-11(7-5-10)12(13,14)15/h4-7,9,16H,2-3,8H2,1H3
InChIKeyBTEKRVBABPQUGR-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol

2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 64666701) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID64666701
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCC(CO)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O/c1-9(8-16)2-3-10-4-6-11(7-5-10)12(13,14)15/h4-7,9,16H,2-3,8H2,1H3
InChIKeyBTEKRVBABPQUGR-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
CID 157198688
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4-[3-[4-(trifluoromethyl)phenyl]butyl]benzene
CID 91006512
N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine
CID 63399897
1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene
CID 64665458
dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 162747547
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol (CID 64666701) is 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol is CC(CO)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is BTEKRVBABPQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-9(8-16)2-3-10-4-6-11(7-5-10)12(13,14)15/h4-7,9,16H,2-3,8H2,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol?
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 232.24 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 64666701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).