7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one

C12H20F4O2 — CID 11032982

IUPAC7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one
SMILESCCCCC(=O)C(F)(F)C(O)(CCCC)C(F)F
InChIInChI=1S/C12H20F4O2/c1-3-5-7-9(17)12(15,16)11(18,10(13)14)8-6-4-2/h10,18H,3-8H2,1-2H3
InChIKeyDVSKJTJBECFQSB-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.57
Rot. Bonds9

About 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one

7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one (PubChem CID 11032982) has the molecular formula C12H20F4O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one.

Molecular Properties

Compound Name7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one
PubChem CID11032982
Molecular FormulaC12H20F4O2
Molecular Weight272.28 g/mol
Exact Mass272.14
IUPAC Name7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one
SMILESCCCCC(=O)C(F)(F)C(O)(CCCC)C(F)F
InChIInChI=1S/C12H20F4O2/c1-3-5-7-9(17)12(15,16)11(18,10(13)14)8-6-4-2/h10,18H,3-8H2,1-2H3
InChIKeyDVSKJTJBECFQSB-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one?
The IUPAC name of 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one (CID 11032982) is 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one.
What is the SMILES notation for 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one?
The canonical SMILES for 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one is CCCCC(=O)C(F)(F)C(O)(CCCC)C(F)F.
What is the InChIKey of 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one?
The InChIKey is DVSKJTJBECFQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4O2/c1-3-5-7-9(17)12(15,16)11(18,10(13)14)8-6-4-2/h10,18H,3-8H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one?
7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one has a molecular weight of 272.28 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one is sourced from PubChem (CID 11032982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).