1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol

C13H17F3O — CID 115515423

IUPAC1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
SMILESCCc1ccc(C(O)CCCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O/c1-2-10-5-7-11(8-6-10)12(17)4-3-9-13(14,15)16/h5-8,12,17H,2-4,9H2,1H3
InChIKeyHYQMAUXFSRXPQA-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol

1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 115515423) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
PubChem CID115515423
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
SMILESCCc1ccc(C(O)CCCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O/c1-2-10-5-7-11(8-6-10)12(17)4-3-9-13(14,15)16/h5-8,12,17H,2-4,9H2,1H3
InChIKeyHYQMAUXFSRXPQA-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 113326937
1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55096279
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424
1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol
CID 82789164
1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
CID 106848279
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol
CID 107140096
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
3-butoxy-1-(4-ethylphenyl)propan-1-ol
CID 115001888
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol (CID 115515423) is 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol is CCc1ccc(C(O)CCCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is HYQMAUXFSRXPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-2-10-5-7-11(8-6-10)12(17)4-3-9-13(14,15)16/h5-8,12,17H,2-4,9H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol?
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 246.27 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 115515423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).