6,6-difluorohex-5-enoic acid

C6H8F2O2 — CID 11298056

IUPAC6,6-difluorohex-5-enoic acid
SMILESO=C(O)CCCC=C(F)F
InChIInChI=1S/C6H8F2O2/c7-5(8)3-1-2-4-6(9)10/h3H,1-2,4H2,(H,9,10)
InChIKeyKOYNZANVYPHTTP-UHFFFAOYSA-N
MW150.12 g/mol
LogP2.02
Rot. Bonds4

About 6,6-difluorohex-5-enoic acid

6,6-difluorohex-5-enoic acid (PubChem CID 11298056) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 6,6-difluorohex-5-enoic acid.

Molecular Properties

Compound Name6,6-difluorohex-5-enoic acid
PubChem CID11298056
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name6,6-difluorohex-5-enoic acid
SMILESO=C(O)CCCC=C(F)F
InChIInChI=1S/C6H8F2O2/c7-5(8)3-1-2-4-6(9)10/h3H,1-2,4H2,(H,9,10)
InChIKeyKOYNZANVYPHTTP-UHFFFAOYSA-N
XLogP2.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6-difluorohex-5-enoic acid with MolForge

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

Launch Full Analysis

Related Compounds

6,6-difluorohex-5-enoic acid chloride
CID 86749714
non-4-ene-1,5,9-tricarboxylic acid
CID 71396049
1,1-difluorobut-1-ene;pentanoic acid
CID 174479516
2-(4,4-difluorobut-3-enyl)propanedioic acid
CID 19082451
12,12-difluorododec-11-en-2-one
CID 19915358
12,12-difluorododec-11-enoyl chloride
CID 14855873
6,7-dimethyloct-5-enoic acid
CID 162716838
(Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane
CID 142225130
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
(Z)-dodec-5-enedioic acid
CID 86751837
8-hydroxyoct-5-enoic acid
CID 86081855
oct-3-enedioic acid
CID 162155605

Frequently Asked Questions

What is the IUPAC name of 6,6-difluorohex-5-enoic acid?
The IUPAC name of 6,6-difluorohex-5-enoic acid (CID 11298056) is 6,6-difluorohex-5-enoic acid.
What is the SMILES notation for 6,6-difluorohex-5-enoic acid?
The canonical SMILES for 6,6-difluorohex-5-enoic acid is O=C(O)CCCC=C(F)F.
What is the InChIKey of 6,6-difluorohex-5-enoic acid?
The InChIKey is KOYNZANVYPHTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-5(8)3-1-2-4-6(9)10/h3H,1-2,4H2,(H,9,10).
What are the key properties of 6,6-difluorohex-5-enoic acid?
6,6-difluorohex-5-enoic acid has a molecular weight of 150.12 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorohex-5-enoic acid is sourced from PubChem (CID 11298056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).