3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one

C9H12F2O2 — CID 135080208

IUPAC3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one
SMILESCCC1=C(OC(F)F)CCCC1=O
InChIInChI=1S/C9H12F2O2/c1-2-6-7(12)4-3-5-8(6)13-9(10)11/h9H,2-5H2,1H3
InChIKeyWCABZCQTZHQPNB-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.64
Rot. Bonds3

About 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one

3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one (PubChem CID 135080208) has the molecular formula C9H12F2O2 and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one
PubChem CID135080208
Molecular FormulaC9H12F2O2
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one
SMILESCCC1=C(OC(F)F)CCCC1=O
InChIInChI=1S/C9H12F2O2/c1-2-6-7(12)4-3-5-8(6)13-9(10)11/h9H,2-5H2,1H3
InChIKeyWCABZCQTZHQPNB-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one?
The IUPAC name of 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one (CID 135080208) is 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one is CCC1=C(OC(F)F)CCCC1=O.
What is the InChIKey of 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one?
The InChIKey is WCABZCQTZHQPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O2/c1-2-6-7(12)4-3-5-8(6)13-9(10)11/h9H,2-5H2,1H3.
What are the key properties of 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one?
3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one has a molecular weight of 190.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-ethylcyclohex-2-en-1-one is sourced from PubChem (CID 135080208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).