1-(1,1-difluoropropyl)-2-ethylcyclohexene

C11H18F2 — CID 89367664

IUPAC1-(1,1-difluoropropyl)-2-ethylcyclohexene
SMILESCCC1=C(C(F)(F)CC)CCCC1
InChIInChI=1S/C11H18F2/c1-3-9-7-5-6-8-10(9)11(12,13)4-2/h3-8H2,1-2H3
InChIKeyZUXXDDOPFGBWAR-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.31
Rot. Bonds3

About 1-(1,1-difluoropropyl)-2-ethylcyclohexene

1-(1,1-difluoropropyl)-2-ethylcyclohexene (PubChem CID 89367664) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-2-ethylcyclohexene.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-2-ethylcyclohexene
PubChem CID89367664
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name1-(1,1-difluoropropyl)-2-ethylcyclohexene
SMILESCCC1=C(C(F)(F)CC)CCCC1
InChIInChI=1S/C11H18F2/c1-3-9-7-5-6-8-10(9)11(12,13)4-2/h3-8H2,1-2H3
InChIKeyZUXXDDOPFGBWAR-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.31
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-(1,1-difluoropropyl)-2-ethylcyclohexene?
The IUPAC name of 1-(1,1-difluoropropyl)-2-ethylcyclohexene (CID 89367664) is 1-(1,1-difluoropropyl)-2-ethylcyclohexene.
What is the SMILES notation for 1-(1,1-difluoropropyl)-2-ethylcyclohexene?
The canonical SMILES for 1-(1,1-difluoropropyl)-2-ethylcyclohexene is CCC1=C(C(F)(F)CC)CCCC1.
What is the InChIKey of 1-(1,1-difluoropropyl)-2-ethylcyclohexene?
The InChIKey is ZUXXDDOPFGBWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-3-9-7-5-6-8-10(9)11(12,13)4-2/h3-8H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropyl)-2-ethylcyclohexene?
1-(1,1-difluoropropyl)-2-ethylcyclohexene has a molecular weight of 188.26 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-2-ethylcyclohexene is sourced from PubChem (CID 89367664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).