6-(2,4,6-trifluorophenyl)hexan-2-ol

C12H15F3O — CID 174718688

IUPAC6-(2,4,6-trifluorophenyl)hexan-2-ol
SMILESCC(O)CCCCc1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3O/c1-8(16)4-2-3-5-10-11(14)6-9(13)7-12(10)15/h6-8,16H,2-5H2,1H3
InChIKeyRHVWZJODXMNOGC-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.20
Rot. Bonds5

About 6-(2,4,6-trifluorophenyl)hexan-2-ol

6-(2,4,6-trifluorophenyl)hexan-2-ol (PubChem CID 174718688) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(2,4,6-trifluorophenyl)hexan-2-ol.

Molecular Properties

Compound Name6-(2,4,6-trifluorophenyl)hexan-2-ol
PubChem CID174718688
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name6-(2,4,6-trifluorophenyl)hexan-2-ol
SMILESCC(O)CCCCc1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3O/c1-8(16)4-2-3-5-10-11(14)6-9(13)7-12(10)15/h6-8,16H,2-5H2,1H3
InChIKeyRHVWZJODXMNOGC-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trifluorophenyl)tetradecan-5-yloxymethanediol
CID 150487734
1,3,5-trifluoro-2-heptylbenzene
CID 59545279
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174592
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
CID 65308506
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
2-[4-(1,1-dimethoxypropyl)dodecyl]-1,3,5-trifluorobenzene
CID 150129703
dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
CID 65303811
2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
4-(2,6-difluoro-3-methylphenyl)butan-2-ol
CID 82822175
5-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 64514586
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,6-trifluorophenyl)hexan-2-ol?
The IUPAC name of 6-(2,4,6-trifluorophenyl)hexan-2-ol (CID 174718688) is 6-(2,4,6-trifluorophenyl)hexan-2-ol.
What is the SMILES notation for 6-(2,4,6-trifluorophenyl)hexan-2-ol?
The canonical SMILES for 6-(2,4,6-trifluorophenyl)hexan-2-ol is CC(O)CCCCc1c(F)cc(F)cc1F.
What is the InChIKey of 6-(2,4,6-trifluorophenyl)hexan-2-ol?
The InChIKey is RHVWZJODXMNOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-8(16)4-2-3-5-10-11(14)6-9(13)7-12(10)15/h6-8,16H,2-5H2,1H3.
What are the key properties of 6-(2,4,6-trifluorophenyl)hexan-2-ol?
6-(2,4,6-trifluorophenyl)hexan-2-ol has a molecular weight of 232.24 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,6-trifluorophenyl)hexan-2-ol is sourced from PubChem (CID 174718688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).