2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone

C16H26F2O — CID 114224600

IUPAC2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)CC2CCCC(F)(F)C2)CC1
InChIInChI=1S/C16H26F2O/c1-2-12-5-7-14(8-6-12)15(19)10-13-4-3-9-16(17,18)11-13/h12-14H,2-11H2,1H3
InChIKeyWRYSOTDJDHVZTL-UHFFFAOYSA-N
MW272.38 g/mol
LogP4.99
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone

2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone (PubChem CID 114224600) has the molecular formula C16H26F2O and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
PubChem CID114224600
Molecular FormulaC16H26F2O
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)CC2CCCC(F)(F)C2)CC1
InChIInChI=1S/C16H26F2O/c1-2-12-5-7-14(8-6-12)15(19)10-13-4-3-9-16(17,18)11-13/h12-14H,2-11H2,1H3
InChIKeyWRYSOTDJDHVZTL-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
2-(3,3-difluorocyclohexyl)-1-(3-methyloxan-4-yl)ethanone
CID 114241894
1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
CID 116559958
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one
CID 114224662
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496
2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone
CID 116578763
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
CID 114223910
(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid
CID 155956904
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
4-(tert-butylamino)-1-(3,3-difluorocyclohexyl)butan-2-one
CID 114225545

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone (CID 114224600) is 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone is CCC1CCC(C(=O)CC2CCCC(F)(F)C2)CC1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone?
The InChIKey is WRYSOTDJDHVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O/c1-2-12-5-7-14(8-6-12)15(19)10-13-4-3-9-16(17,18)11-13/h12-14H,2-11H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone?
2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone has a molecular weight of 272.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone is sourced from PubChem (CID 114224600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).