1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene

C7H7ClF2 — CID 10535032

IUPAC1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene
SMILESC/C=C/CC1=C(Cl)C1(F)F
InChIInChI=1S/C7H7ClF2/c1-2-3-4-5-6(8)7(5,9)10/h2-3H,4H2,1H3/b3-2+
InChIKeyNOJMUQMVKHTHHS-NSCUHMNNSA-N
MW164.58 g/mol
LogP3.09
Rot. Bonds2

About 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene

1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene (PubChem CID 10535032) has the molecular formula C7H7ClF2 and a molecular weight of 164.58 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene
PubChem CID10535032
Molecular FormulaC7H7ClF2
Molecular Weight164.58 g/mol
Exact Mass164.02
IUPAC Name1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene
SMILESC/C=C/CC1=C(Cl)C1(F)F
InChIInChI=1S/C7H7ClF2/c1-2-3-4-5-6(8)7(5,9)10/h2-3H,4H2,1H3/b3-2+
InChIKeyNOJMUQMVKHTHHS-NSCUHMNNSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.58
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene?
The IUPAC name of 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene (CID 10535032) is 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene is C/C=C/CC1=C(Cl)C1(F)F.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene?
The InChIKey is NOJMUQMVKHTHHS-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H7ClF2/c1-2-3-4-5-6(8)7(5,9)10/h2-3H,4H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene?
1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene has a molecular weight of 164.58 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-2-chloro-3,3-difluorocyclopropene is sourced from PubChem (CID 10535032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).