1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone

C15H19FO2 — CID 116747889

IUPAC1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
SMILESCCOC1(C(=O)Cc2cccc(F)c2)CCCC1
InChIInChI=1S/C15H19FO2/c1-2-18-15(8-3-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyTUVFNUWHLKGVNJ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.29
Rot. Bonds5

About 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone

1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone (PubChem CID 116747889) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
PubChem CID116747889
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
SMILESCCOC1(C(=O)Cc2cccc(F)c2)CCCC1
InChIInChI=1S/C15H19FO2/c1-2-18-15(8-3-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyTUVFNUWHLKGVNJ-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
2-(3-bromophenyl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750033
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748406
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone (CID 116747889) is 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone is CCOC1(C(=O)Cc2cccc(F)c2)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is TUVFNUWHLKGVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-2-18-15(8-3-4-9-15)14(17)11-12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone?
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 250.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116747889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).