6,6-difluoro-7-methyl-4-methylidenedecan-1-ol

C12H22F2O — CID 174247984

IUPAC6,6-difluoro-7-methyl-4-methylidenedecan-1-ol
SMILESC=C(CCCO)CC(F)(F)C(C)CCC
InChIInChI=1S/C12H22F2O/c1-4-6-11(3)12(13,14)9-10(2)7-5-8-15/h11,15H,2,4-9H2,1,3H3
InChIKeyVYJQPFUTOPHSLF-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.78
Rot. Bonds8

About 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol

6,6-difluoro-7-methyl-4-methylidenedecan-1-ol (PubChem CID 174247984) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol.

Molecular Properties

Compound Name6,6-difluoro-7-methyl-4-methylidenedecan-1-ol
PubChem CID174247984
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name6,6-difluoro-7-methyl-4-methylidenedecan-1-ol
SMILESC=C(CCCO)CC(F)(F)C(C)CCC
InChIInChI=1S/C12H22F2O/c1-4-6-11(3)12(13,14)9-10(2)7-5-8-15/h11,15H,2,4-9H2,1,3H3
InChIKeyVYJQPFUTOPHSLF-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.78
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 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol?
The IUPAC name of 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol (CID 174247984) is 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol.
What is the SMILES notation for 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol?
The canonical SMILES for 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol is C=C(CCCO)CC(F)(F)C(C)CCC.
What is the InChIKey of 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol?
The InChIKey is VYJQPFUTOPHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O/c1-4-6-11(3)12(13,14)9-10(2)7-5-8-15/h11,15H,2,4-9H2,1,3H3.
What are the key properties of 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol?
6,6-difluoro-7-methyl-4-methylidenedecan-1-ol has a molecular weight of 220.30 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-7-methyl-4-methylidenedecan-1-ol is sourced from PubChem (CID 174247984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).