7,7,7-trifluoro-3-phenylheptan-3-ol

C13H17F3O — CID 113326695

IUPAC7,7,7-trifluoro-3-phenylheptan-3-ol
SMILESCCC(O)(CCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H17F3O/c1-2-12(17,9-6-10-13(14,15)16)11-7-4-3-5-8-11/h3-5,7-8,17H,2,6,9-10H2,1H3
InChIKeyNLUVFDOLWZLHFW-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.02
Rot. Bonds5

About 7,7,7-trifluoro-3-phenylheptan-3-ol

7,7,7-trifluoro-3-phenylheptan-3-ol (PubChem CID 113326695) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 7,7,7-trifluoro-3-phenylheptan-3-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-3-phenylheptan-3-ol
PubChem CID113326695
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name7,7,7-trifluoro-3-phenylheptan-3-ol
SMILESCCC(O)(CCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H17F3O/c1-2-12(17,9-6-10-13(14,15)16)11-7-4-3-5-8-11/h3-5,7-8,17H,2,6,9-10H2,1H3
InChIKeyNLUVFDOLWZLHFW-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenyl-2-propanol
CID 12053
1-Phenylethanol
CID 7409
Cumene Hydroperoxide
CID 6629
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
p-Cymen-8-ol
CID 14529
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
3-Hydroxy-3-phenyl-1-butyne
CID 92098

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-3-phenylheptan-3-ol?
The IUPAC name of 7,7,7-trifluoro-3-phenylheptan-3-ol (CID 113326695) is 7,7,7-trifluoro-3-phenylheptan-3-ol.
What is the SMILES notation for 7,7,7-trifluoro-3-phenylheptan-3-ol?
The canonical SMILES for 7,7,7-trifluoro-3-phenylheptan-3-ol is CCC(O)(CCCC(F)(F)F)c1ccccc1.
What is the InChIKey of 7,7,7-trifluoro-3-phenylheptan-3-ol?
The InChIKey is NLUVFDOLWZLHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-2-12(17,9-6-10-13(14,15)16)11-7-4-3-5-8-11/h3-5,7-8,17H,2,6,9-10H2,1H3.
What are the key properties of 7,7,7-trifluoro-3-phenylheptan-3-ol?
7,7,7-trifluoro-3-phenylheptan-3-ol has a molecular weight of 246.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-3-phenylheptan-3-ol is sourced from PubChem (CID 113326695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).