4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol

C14H19F3O — CID 64514191

IUPAC4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
SMILESCC(C)(C)C(O)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3O/c1-13(2,3)12(18)9-8-10-6-4-5-7-11(10)14(15,16)17/h4-7,12,18H,8-9H2,1-3H3
InChIKeySCSOFEKOJFQBMO-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.05
Rot. Bonds3

About 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol

4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol (PubChem CID 64514191) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
PubChem CID64514191
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
SMILESCC(C)(C)C(O)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3O/c1-13(2,3)12(18)9-8-10-6-4-5-7-11(10)14(15,16)17/h4-7,12,18H,8-9H2,1-3H3
InChIKeySCSOFEKOJFQBMO-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 151744228
1-(3-hydroxy-4,4-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90523655
1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene
CID 144693394
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
1-(2-bromo-3,3-dimethylbutyl)-2-(trifluoromethyl)benzene
CID 63530722
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
CID 113352552
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 91623691

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol (CID 64514191) is 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol is CC(C)(C)C(O)CCc1ccccc1C(F)(F)F.
What is the InChIKey of 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol?
The InChIKey is SCSOFEKOJFQBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-13(2,3)12(18)9-8-10-6-4-5-7-11(10)14(15,16)17/h4-7,12,18H,8-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol?
4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol has a molecular weight of 260.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol is sourced from PubChem (CID 64514191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).