3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene

C10H12ClF — CID 54416029

IUPAC3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene
SMILESC=CCC1=C(C)CCC1=C(F)Cl
InChIInChI=1S/C10H12ClF/c1-3-4-8-7(2)5-6-9(8)10(11)12/h3H,1,4-6H2,2H3
InChIKeyUPMMARCMSWMZEG-UHFFFAOYSA-N
MW186.66 g/mol
LogP4.09
Rot. Bonds2

About 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene

3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene (PubChem CID 54416029) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene.

Molecular Properties

Compound Name3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene
PubChem CID54416029
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene
SMILESC=CCC1=C(C)CCC1=C(F)Cl
InChIInChI=1S/C10H12ClF/c1-3-4-8-7(2)5-6-9(8)10(11)12/h3H,1,4-6H2,2H3
InChIKeyUPMMARCMSWMZEG-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 54.09
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 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene?
The IUPAC name of 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene (CID 54416029) is 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene.
What is the SMILES notation for 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene?
The canonical SMILES for 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene is C=CCC1=C(C)CCC1=C(F)Cl.
What is the InChIKey of 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene?
The InChIKey is UPMMARCMSWMZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-3-4-8-7(2)5-6-9(8)10(11)12/h3H,1,4-6H2,2H3.
What are the key properties of 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene?
3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene has a molecular weight of 186.66 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene is sourced from PubChem (CID 54416029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).