1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone

C11H18F2O — CID 91443141

IUPAC1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone
SMILESCCC1CC(C(C)=O)CC1C(C)(F)F
InChIInChI=1S/C11H18F2O/c1-4-8-5-9(7(2)14)6-10(8)11(3,12)13/h8-10H,4-6H2,1-3H3
InChIKeyCFYDJFNPWXKGRR-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.28
Rot. Bonds3

About 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone

1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone (PubChem CID 91443141) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone
PubChem CID91443141
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone
SMILESCCC1CC(C(C)=O)CC1C(C)(F)F
InChIInChI=1S/C11H18F2O/c1-4-8-5-9(7(2)14)6-10(8)11(3,12)13/h8-10H,4-6H2,1-3H3
InChIKeyCFYDJFNPWXKGRR-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone?
The IUPAC name of 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone (CID 91443141) is 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone.
What is the SMILES notation for 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone?
The canonical SMILES for 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone is CCC1CC(C(C)=O)CC1C(C)(F)F.
What is the InChIKey of 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone?
The InChIKey is CFYDJFNPWXKGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-4-8-5-9(7(2)14)6-10(8)11(3,12)13/h8-10H,4-6H2,1-3H3.
What are the key properties of 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone?
1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone has a molecular weight of 204.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-difluoroethyl)-4-ethylcyclopentyl]ethanone is sourced from PubChem (CID 91443141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).