(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone

C15H19FO — CID 114970764

IUPAC(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCC1(C(=O)c2ccc(F)cc2C)CCCC1
InChIInChI=1S/C15H19FO/c1-3-15(8-4-5-9-15)14(17)13-7-6-12(16)10-11(13)2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyHVOCCVMAEGIXBB-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.29
Rot. Bonds3

About (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone

(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 114970764) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID114970764
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCC1(C(=O)c2ccc(F)cc2C)CCCC1
InChIInChI=1S/C15H19FO/c1-3-15(8-4-5-9-15)14(17)13-7-6-12(16)10-11(13)2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyHVOCCVMAEGIXBB-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone
CID 81045264
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982245
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702471
1-[1-(aminomethyl)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350494
[1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone
CID 116611830
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone (CID 114970764) is (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone is CCC1(C(=O)c2ccc(F)cc2C)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is HVOCCVMAEGIXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-3-15(8-4-5-9-15)14(17)13-7-6-12(16)10-11(13)2/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone?
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 234.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 114970764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).