6,6-difluoro-5-methylhex-5-enoic acid

C7H10F2O2 — CID 57048281

IUPAC6,6-difluoro-5-methylhex-5-enoic acid
SMILESCC(CCCC(=O)O)=C(F)F
InChIInChI=1S/C7H10F2O2/c1-5(7(8)9)3-2-4-6(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyJRUZCVZSNOKLAV-UHFFFAOYSA-N
MW164.15 g/mol
LogP2.41
Rot. Bonds4

About 6,6-difluoro-5-methylhex-5-enoic acid

6,6-difluoro-5-methylhex-5-enoic acid (PubChem CID 57048281) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 6,6-difluoro-5-methylhex-5-enoic acid.

Molecular Properties

Compound Name6,6-difluoro-5-methylhex-5-enoic acid
PubChem CID57048281
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name6,6-difluoro-5-methylhex-5-enoic acid
SMILESCC(CCCC(=O)O)=C(F)F
InChIInChI=1S/C7H10F2O2/c1-5(7(8)9)3-2-4-6(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyJRUZCVZSNOKLAV-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methylhex-5-enoic acid?
The IUPAC name of 6,6-difluoro-5-methylhex-5-enoic acid (CID 57048281) is 6,6-difluoro-5-methylhex-5-enoic acid.
What is the SMILES notation for 6,6-difluoro-5-methylhex-5-enoic acid?
The canonical SMILES for 6,6-difluoro-5-methylhex-5-enoic acid is CC(CCCC(=O)O)=C(F)F.
What is the InChIKey of 6,6-difluoro-5-methylhex-5-enoic acid?
The InChIKey is JRUZCVZSNOKLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-5(7(8)9)3-2-4-6(10)11/h2-4H2,1H3,(H,10,11).
What are the key properties of 6,6-difluoro-5-methylhex-5-enoic acid?
6,6-difluoro-5-methylhex-5-enoic acid has a molecular weight of 164.15 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methylhex-5-enoic acid is sourced from PubChem (CID 57048281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).