1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone

C16H21FO — CID 63862356

IUPAC1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone
SMILESCCC1CCCCC1C(=O)Cc1ccccc1F
InChIInChI=1S/C16H21FO/c1-2-12-7-3-5-9-14(12)16(18)11-13-8-4-6-10-15(13)17/h4,6,8,10,12,14H,2-3,5,7,9,11H2,1H3
InChIKeyLDELEDYVHUHTOL-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.15
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone

1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone (PubChem CID 63862356) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone
PubChem CID63862356
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone
SMILESCCC1CCCCC1C(=O)Cc1ccccc1F
InChIInChI=1S/C16H21FO/c1-2-12-7-3-5-9-14(12)16(18)11-13-8-4-6-10-15(13)17/h4,6,8,10,12,14H,2-3,5,7,9,11H2,1H3
InChIKeyLDELEDYVHUHTOL-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorocyclopropyl)-2-(2-fluorophenyl)ethanone
CID 19919493
1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone
CID 142789341
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
CID 158142354
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
CID 114973791
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424476
2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone
CID 61080279
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone (CID 63862356) is 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone is CCC1CCCCC1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone?
The InChIKey is LDELEDYVHUHTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-2-12-7-3-5-9-14(12)16(18)11-13-8-4-6-10-15(13)17/h4,6,8,10,12,14H,2-3,5,7,9,11H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone?
1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone has a molecular weight of 248.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 63862356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).