(E)-2,2-difluorohex-3-enoic acid

C6H8F2O2 — CID 21432334

IUPAC(E)-2,2-difluorohex-3-enoic acid
SMILESCC/C=C/C(F)(F)C(=O)O
InChIInChI=1S/C6H8F2O2/c1-2-3-4-6(7,8)5(9)10/h3-4H,2H2,1H3,(H,9,10)/b4-3+
InChIKeyQULAFRCQLGGXML-ONEGZZNKSA-N
MW150.12 g/mol
LogP1.67
Rot. Bonds3

About (E)-2,2-difluorohex-3-enoic acid

(E)-2,2-difluorohex-3-enoic acid (PubChem CID 21432334) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is (E)-2,2-difluorohex-3-enoic acid.

Molecular Properties

Compound Name(E)-2,2-difluorohex-3-enoic acid
PubChem CID21432334
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name(E)-2,2-difluorohex-3-enoic acid
SMILESCC/C=C/C(F)(F)C(=O)O
InChIInChI=1S/C6H8F2O2/c1-2-3-4-6(7,8)5(9)10/h3-4H,2H2,1H3,(H,9,10)/b4-3+
InChIKeyQULAFRCQLGGXML-ONEGZZNKSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.67
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 (E)-2,2-difluorohex-3-enoic acid?
The IUPAC name of (E)-2,2-difluorohex-3-enoic acid (CID 21432334) is (E)-2,2-difluorohex-3-enoic acid.
What is the SMILES notation for (E)-2,2-difluorohex-3-enoic acid?
The canonical SMILES for (E)-2,2-difluorohex-3-enoic acid is CC/C=C/C(F)(F)C(=O)O.
What is the InChIKey of (E)-2,2-difluorohex-3-enoic acid?
The InChIKey is QULAFRCQLGGXML-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-2-3-4-6(7,8)5(9)10/h3-4H,2H2,1H3,(H,9,10)/b4-3+.
What are the key properties of (E)-2,2-difluorohex-3-enoic acid?
(E)-2,2-difluorohex-3-enoic acid has a molecular weight of 150.12 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluorohex-3-enoic acid is sourced from PubChem (CID 21432334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).