2-(2,6-difluorophenyl)hex-5-en-2-ol

C12H14F2O — CID 104656171

IUPAC2-(2,6-difluorophenyl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c1-3-4-8-12(2,15)11-9(13)6-5-7-10(11)14/h3,5-7,15H,1,4,8H2,2H3
InChIKeyYYIRQULGZLOUMA-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.14
Rot. Bonds4

About 2-(2,6-difluorophenyl)hex-5-en-2-ol

2-(2,6-difluorophenyl)hex-5-en-2-ol (PubChem CID 104656171) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)hex-5-en-2-ol
PubChem CID104656171
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(2,6-difluorophenyl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c1-3-4-8-12(2,15)11-9(13)6-5-7-10(11)14/h3,5-7,15H,1,4,8H2,2H3
InChIKeyYYIRQULGZLOUMA-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)hex-5-en-2-ol?
The IUPAC name of 2-(2,6-difluorophenyl)hex-5-en-2-ol (CID 104656171) is 2-(2,6-difluorophenyl)hex-5-en-2-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)hex-5-en-2-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)hex-5-en-2-ol is C=CCCC(C)(O)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)hex-5-en-2-ol?
The InChIKey is YYIRQULGZLOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-3-4-8-12(2,15)11-9(13)6-5-7-10(11)14/h3,5-7,15H,1,4,8H2,2H3.
What are the key properties of 2-(2,6-difluorophenyl)hex-5-en-2-ol?
2-(2,6-difluorophenyl)hex-5-en-2-ol has a molecular weight of 212.24 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)hex-5-en-2-ol is sourced from PubChem (CID 104656171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).