6,6-difluorohex-5-enoic acid chloride

C6H8ClF2O2- — CID 86749714

IUPAC6,6-difluorohex-5-enoic acid chloride
SMILESO=C(O)CCCC=C(F)F.[Cl-]
InChIInChI=1S/C6H8F2O2.ClH/c7-5(8)3-1-2-4-6(9)10;/h3H,1-2,4H2,(H,9,10);1H/p-1
InChIKeyUELTYWHPECZLLT-UHFFFAOYSA-M
MW185.58 g/mol
LogP-0.97
Rot. Bonds4

About 6,6-difluorohex-5-enoic acid chloride

6,6-difluorohex-5-enoic acid chloride (PubChem CID 86749714) has the molecular formula C6H8ClF2O2- and a molecular weight of 185.58 g/mol. Its IUPAC name is 6,6-difluorohex-5-enoic acid chloride.

Molecular Properties

Compound Name6,6-difluorohex-5-enoic acid chloride
PubChem CID86749714
Molecular FormulaC6H8ClF2O2-
Molecular Weight185.58 g/mol
Exact Mass185.02
IUPAC Name6,6-difluorohex-5-enoic acid chloride
SMILESO=C(O)CCCC=C(F)F.[Cl-]
InChIInChI=1S/C6H8F2O2.ClH/c7-5(8)3-1-2-4-6(9)10;/h3H,1-2,4H2,(H,9,10);1H/p-1
InChIKeyUELTYWHPECZLLT-UHFFFAOYSA-M
XLogP-0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.58
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,6-difluorohex-5-enoic acid
CID 11298056
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 chloride?
The IUPAC name of 6,6-difluorohex-5-enoic acid chloride (CID 86749714) is 6,6-difluorohex-5-enoic acid chloride.
What is the SMILES notation for 6,6-difluorohex-5-enoic acid chloride?
The canonical SMILES for 6,6-difluorohex-5-enoic acid chloride is O=C(O)CCCC=C(F)F.[Cl-].
What is the InChIKey of 6,6-difluorohex-5-enoic acid chloride?
The InChIKey is UELTYWHPECZLLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8F2O2.ClH/c7-5(8)3-1-2-4-6(9)10;/h3H,1-2,4H2,(H,9,10);1H/p-1.
What are the key properties of 6,6-difluorohex-5-enoic acid chloride?
6,6-difluorohex-5-enoic acid chloride has a molecular weight of 185.58 g/mol, XLogP of -0.97, 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 chloride is sourced from PubChem (CID 86749714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).