5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol

C11H12F4O — CID 115515409

IUPAC5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H12F4O/c12-9-5-2-1-4-8(9)10(16)6-3-7-11(13,14)15/h1-2,4-5,10,16H,3,6-7H2
InChIKeyNLHIUGVWDQFTDW-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.59
Rot. Bonds4

About 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol

5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol (PubChem CID 115515409) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
PubChem CID115515409
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H12F4O/c12-9-5-2-1-4-8(9)10(16)6-3-7-11(13,14)15/h1-2,4-5,10,16H,3,6-7H2
InChIKeyNLHIUGVWDQFTDW-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
CID 115828339
1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55182098
5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 115515453
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
4,4,4-trifluoro-1-(2-methylsulfanylphenyl)butan-1-ol
CID 115808769
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 107487213
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol (CID 115515409) is 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol is OC(CCCC(F)(F)F)c1ccccc1F.
What is the InChIKey of 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol?
The InChIKey is NLHIUGVWDQFTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c12-9-5-2-1-4-8(9)10(16)6-3-7-11(13,14)15/h1-2,4-5,10,16H,3,6-7H2.
What are the key properties of 5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol?
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol has a molecular weight of 236.21 g/mol, XLogP of 3.59, 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-fluorophenyl)pentan-1-ol is sourced from PubChem (CID 115515409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).