5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene

C10H12ClF — CID 70519763

IUPAC5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene
SMILESC=CCC1=C(C)C(=CCl)CC1F
InChIInChI=1S/C10H12ClF/c1-3-4-9-7(2)8(6-11)5-10(9)12/h3,6,10H,1,4-5H2,2H3
InChIKeyOTWWMWMAADEZGQ-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.74
Rot. Bonds2

About 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene

5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene (PubChem CID 70519763) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene.

Molecular Properties

Compound Name5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene
PubChem CID70519763
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene
SMILESC=CCC1=C(C)C(=CCl)CC1F
InChIInChI=1S/C10H12ClF/c1-3-4-9-7(2)8(6-11)5-10(9)12/h3,6,10H,1,4-5H2,2H3
InChIKeyOTWWMWMAADEZGQ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[Chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene
CID 54416029
(3Z,5E)-7-chloro-4-ethyl-6-fluorohepta-1,3,5-triene
CID 88967187
1-[2-(Chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene
CID 89029215
(1Z,3Z)-1-chloro-4-ethenyl-2-fluorohepta-1,3-diene
CID 89143158
(3Z,5E)-7-chloro-4-ethyl-5-fluorohepta-1,3,5-triene
CID 89329960
(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene
CID 126638990
(3E)-1-buta-1,2-dienyl-3-[chloro(fluoro)methylidene]cyclopentene
CID 141543135
(4Z)-4-(2-chloroethylidene)-1-fluorooctane
CID 164098432
(2Z,4Z)-6-chloro-3-ethyl-1-fluorohexa-2,4-diene
CID 167200057
(3E)-3-chloro-2-fluoro-1-methyl-9-methylidenecyclonona-1,3-diene
CID 173895934
(E,4Z)-4-(chloromethylidene)non-2-ene
CID 134863990
(1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene
CID 176929547

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene?
The IUPAC name of 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene (CID 70519763) is 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene.
What is the SMILES notation for 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene?
The canonical SMILES for 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene is C=CCC1=C(C)C(=CCl)CC1F.
What is the InChIKey of 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene?
The InChIKey is OTWWMWMAADEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-3-4-9-7(2)8(6-11)5-10(9)12/h3,6,10H,1,4-5H2,2H3.
What are the key properties of 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene?
5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene has a molecular weight of 186.66 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene is sourced from PubChem (CID 70519763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).