1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol

C13H16F4O — CID 107290287

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H16F4O/c1-8(2)12(18)6-4-9-3-5-10(11(14)7-9)13(15,16)17/h3,5,7-8,12,18H,4,6H2,1-2H3
InChIKeyOLVCKQZKDDFSOE-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.79
Rot. Bonds4

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol

1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol (PubChem CID 107290287) has the molecular formula C13H16F4O and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol
PubChem CID107290287
Molecular FormulaC13H16F4O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H16F4O/c1-8(2)12(18)6-4-9-3-5-10(11(14)7-9)13(15,16)17/h3,5,7-8,12,18H,4,6H2,1-2H3
InChIKeyOLVCKQZKDDFSOE-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
CID 69353641
4-[3-fluoro-4-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 156691168
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458
3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107290177
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
(2S)-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]aziridine
CID 162550184
2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene
CID 22373784
(4-tert-butylphenyl)methyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]azanide
CID 158164902

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol (CID 107290287) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol is CC(C)C(O)CCc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol?
The InChIKey is OLVCKQZKDDFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4O/c1-8(2)12(18)6-4-9-3-5-10(11(14)7-9)13(15,16)17/h3,5,7-8,12,18H,4,6H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol has a molecular weight of 264.26 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol is sourced from PubChem (CID 107290287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).