5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol

C12H14F4O — CID 115828331

IUPAC5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
SMILESCc1ccc(C(O)CCCC(F)(F)F)c(F)c1
InChIInChI=1S/C12H14F4O/c1-8-4-5-9(10(13)7-8)11(17)3-2-6-12(14,15)16/h4-5,7,11,17H,2-3,6H2,1H3
InChIKeyUWOLTOUTAZTEKN-UHFFFAOYSA-N
MW250.23 g/mol
LogP3.90
Rot. Bonds4

About 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol

5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol (PubChem CID 115828331) has the molecular formula C12H14F4O and a molecular weight of 250.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
PubChem CID115828331
Molecular FormulaC12H14F4O
Molecular Weight250.23 g/mol
Exact Mass250.10
IUPAC Name5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
SMILESCc1ccc(C(O)CCCC(F)(F)F)c(F)c1
InChIInChI=1S/C12H14F4O/c1-8-4-5-9(10(13)7-8)11(17)3-2-6-12(14,15)16/h4-5,7,11,17H,2-3,6H2,1H3
InChIKeyUWOLTOUTAZTEKN-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
CID 115515699
1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828321
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114210914
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine
CID 105329005
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4-methylphenyl)propan-1-ol
CID 131503878
2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115826420
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
CID 115828339

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol (CID 115828331) is 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol is Cc1ccc(C(O)CCCC(F)(F)F)c(F)c1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol?
The InChIKey is UWOLTOUTAZTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4O/c1-8-4-5-9(10(13)7-8)11(17)3-2-6-12(14,15)16/h4-5,7,11,17H,2-3,6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol?
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol has a molecular weight of 250.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol is sourced from PubChem (CID 115828331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).