1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol

C13H16F4O — CID 107892736

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H16F4O/c1-3-4-8(2)12(18)10-6-5-9(14)7-11(10)13(15,16)17/h5-8,12,18H,3-4H2,1-2H3
InChIKeyITVDXWVUBMTDRR-UHFFFAOYSA-N
MW264.26 g/mol
LogP4.31
Rot. Bonds4

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol

1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol (PubChem CID 107892736) has the molecular formula C13H16F4O and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol
PubChem CID107892736
Molecular FormulaC13H16F4O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H16F4O/c1-3-4-8(2)12(18)10-6-5-9(14)7-11(10)13(15,16)17/h5-8,12,18H,3-4H2,1-2H3
InChIKeyITVDXWVUBMTDRR-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]pentanoic acid
CID 83042561
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125
1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820398
2-[4-fluoro-2-(trifluoromethyl)phenyl]pentanoic acid
CID 162153300
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
3-bromo-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860504
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
CID 115515699
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
4-fluoro-1-pentan-3-yl-2-(trifluoromethyl)benzene
CID 146382757
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171209069

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol (CID 107892736) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol is CCCC(C)C(O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol?
The InChIKey is ITVDXWVUBMTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4O/c1-3-4-8(2)12(18)10-6-5-9(14)7-11(10)13(15,16)17/h5-8,12,18H,3-4H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol has a molecular weight of 264.26 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol is sourced from PubChem (CID 107892736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).