2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene

C9H14ClF — CID 89168214

IUPAC2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene
SMILESCCC1CCC(CF)=C(Cl)C1
InChIInChI=1S/C9H14ClF/c1-2-7-3-4-8(6-11)9(10)5-7/h7H,2-6H2,1H3
InChIKeyVDQREIQWQCQESA-UHFFFAOYSA-N
MW176.66 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene

2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene (PubChem CID 89168214) has the molecular formula C9H14ClF and a molecular weight of 176.66 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene.

Molecular Properties

Compound Name2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene
PubChem CID89168214
Molecular FormulaC9H14ClF
Molecular Weight176.66 g/mol
Exact Mass176.08
IUPAC Name2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene
SMILESCCC1CCC(CF)=C(Cl)C1
InChIInChI=1S/C9H14ClF/c1-2-7-3-4-8(6-11)9(10)5-7/h7H,2-6H2,1H3
InChIKeyVDQREIQWQCQESA-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.66
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene?
The IUPAC name of 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene (CID 89168214) is 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene.
What is the SMILES notation for 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene?
The canonical SMILES for 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene is CCC1CCC(CF)=C(Cl)C1.
What is the InChIKey of 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene?
The InChIKey is VDQREIQWQCQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF/c1-2-7-3-4-8(6-11)9(10)5-7/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene?
2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene has a molecular weight of 176.66 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1-(fluoromethyl)cyclohexene is sourced from PubChem (CID 89168214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).