2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone

C17H23FO — CID 65424476

IUPAC2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C17H23FO/c1-12(2)13-7-9-14(10-8-13)17(19)11-15-5-3-4-6-16(15)18/h3-6,12-14H,7-11H2,1-2H3
InChIKeyAFJVTUNVZZDHCM-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.40
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone

2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone (PubChem CID 65424476) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
PubChem CID65424476
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C17H23FO/c1-12(2)13-7-9-14(10-8-13)17(19)11-15-5-3-4-6-16(15)18/h3-6,12-14H,7-11H2,1-2H3
InChIKeyAFJVTUNVZZDHCM-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423697
2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82920497
2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423303
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-(2-fluorocyclopropyl)-2-(2-fluorophenyl)ethanone
CID 19919493
1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone
CID 142789341
propan-2-yl 3-(2-fluorophenyl)-2-oxopropanoate
CID 18370977
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone (CID 65424476) is 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone is CC(C)C1CCC(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The InChIKey is AFJVTUNVZZDHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-12(2)13-7-9-14(10-8-13)17(19)11-15-5-3-4-6-16(15)18/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone?
2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone has a molecular weight of 262.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 65424476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).