1-(difluoromethylidene)-4-ethylcyclohexane

C9H14F2 — CID 162557862

IUPAC1-(difluoromethylidene)-4-ethylcyclohexane
SMILESCCC1CCC(=C(F)F)CC1
InChIInChI=1S/C9H14F2/c1-2-7-3-5-8(6-4-7)9(10)11/h7H,2-6H2,1H3
InChIKeyJQHHXWVNYAZJEV-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.74
Rot. Bonds1

About 1-(difluoromethylidene)-4-ethylcyclohexane

1-(difluoromethylidene)-4-ethylcyclohexane (PubChem CID 162557862) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(difluoromethylidene)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(difluoromethylidene)-4-ethylcyclohexane
PubChem CID162557862
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(difluoromethylidene)-4-ethylcyclohexane
SMILESCCC1CCC(=C(F)F)CC1
InChIInChI=1S/C9H14F2/c1-2-7-3-5-8(6-4-7)9(10)11/h7H,2-6H2,1H3
InChIKeyJQHHXWVNYAZJEV-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylidene)-4-ethylcyclohexane?
The IUPAC name of 1-(difluoromethylidene)-4-ethylcyclohexane (CID 162557862) is 1-(difluoromethylidene)-4-ethylcyclohexane.
What is the SMILES notation for 1-(difluoromethylidene)-4-ethylcyclohexane?
The canonical SMILES for 1-(difluoromethylidene)-4-ethylcyclohexane is CCC1CCC(=C(F)F)CC1.
What is the InChIKey of 1-(difluoromethylidene)-4-ethylcyclohexane?
The InChIKey is JQHHXWVNYAZJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-2-7-3-5-8(6-4-7)9(10)11/h7H,2-6H2,1H3.
What are the key properties of 1-(difluoromethylidene)-4-ethylcyclohexane?
1-(difluoromethylidene)-4-ethylcyclohexane has a molecular weight of 160.21 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylidene)-4-ethylcyclohexane is sourced from PubChem (CID 162557862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).