1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane

C9H12ClF — CID 174378752

IUPAC1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane
SMILESC=C1C(=CCCl)CCCC1F
InChIInChI=1S/C9H12ClF/c1-7-8(5-6-10)3-2-4-9(7)11/h5,9H,1-4,6H2
InChIKeyGLGSLJUSYMVJTL-UHFFFAOYSA-N
MW174.65 g/mol
LogP3.23
Rot. Bonds1

About 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane

1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane (PubChem CID 174378752) has the molecular formula C9H12ClF and a molecular weight of 174.65 g/mol. Its IUPAC name is 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane
PubChem CID174378752
Molecular FormulaC9H12ClF
Molecular Weight174.65 g/mol
Exact Mass174.06
IUPAC Name1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane
SMILESC=C1C(=CCCl)CCCC1F
InChIInChI=1S/C9H12ClF/c1-7-8(5-6-10)3-2-4-9(7)11/h5,9H,1-4,6H2
InChIKeyGLGSLJUSYMVJTL-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane?
The IUPAC name of 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane (CID 174378752) is 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane.
What is the SMILES notation for 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane?
The canonical SMILES for 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane is C=C1C(=CCCl)CCCC1F.
What is the InChIKey of 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane?
The InChIKey is GLGSLJUSYMVJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF/c1-7-8(5-6-10)3-2-4-9(7)11/h5,9H,1-4,6H2.
What are the key properties of 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane?
1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane has a molecular weight of 174.65 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane is sourced from PubChem (CID 174378752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).