6,6-difluorohex-5-enoic acid;hydrochloride

C6H9ClF2O2 — CID 87977573

IUPAC6,6-difluorohex-5-enoic acid;hydrochloride
SMILESCl.O=C(O)CCCC=C(F)F
InChIInChI=1S/C6H8F2O2.ClH/c7-5(8)3-1-2-4-6(9)10;/h3H,1-2,4H2,(H,9,10);1H
InChIKeyUELTYWHPECZLLT-UHFFFAOYSA-N
MW186.58 g/mol
LogP2.44
Rot. Bonds4

About 6,6-difluorohex-5-enoic acid;hydrochloride

6,6-difluorohex-5-enoic acid;hydrochloride (PubChem CID 87977573) has the molecular formula C6H9ClF2O2 and a molecular weight of 186.58 g/mol. Its IUPAC name is 6,6-difluorohex-5-enoic acid;hydrochloride.

Molecular Properties

Compound Name6,6-difluorohex-5-enoic acid;hydrochloride
PubChem CID87977573
Molecular FormulaC6H9ClF2O2
Molecular Weight186.58 g/mol
Exact Mass186.03
IUPAC Name6,6-difluorohex-5-enoic acid;hydrochloride
SMILESCl.O=C(O)CCCC=C(F)F
InChIInChI=1S/C6H8F2O2.ClH/c7-5(8)3-1-2-4-6(9)10;/h3H,1-2,4H2,(H,9,10);1H
InChIKeyUELTYWHPECZLLT-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.58
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 6,6-difluorohex-5-enoic acid;hydrochloride?
The IUPAC name of 6,6-difluorohex-5-enoic acid;hydrochloride (CID 87977573) is 6,6-difluorohex-5-enoic acid;hydrochloride.
What is the SMILES notation for 6,6-difluorohex-5-enoic acid;hydrochloride?
The canonical SMILES for 6,6-difluorohex-5-enoic acid;hydrochloride is Cl.O=C(O)CCCC=C(F)F.
What is the InChIKey of 6,6-difluorohex-5-enoic acid;hydrochloride?
The InChIKey is UELTYWHPECZLLT-UHFFFAOYSA-N. 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.
What are the key properties of 6,6-difluorohex-5-enoic acid;hydrochloride?
6,6-difluorohex-5-enoic acid;hydrochloride has a molecular weight of 186.58 g/mol, XLogP of 2.44, 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;hydrochloride is sourced from PubChem (CID 87977573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).