2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone

C16H21FO2 — CID 116750408

IUPAC2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(F)cc2)CCCCCC1
InChIInChI=1S/C16H21FO2/c1-19-16(10-4-2-3-5-11-16)15(18)12-13-6-8-14(17)9-7-13/h6-9H,2-5,10-12H2,1H3
InChIKeyFLZYFEMZAFFFGK-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.68
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone

2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone (PubChem CID 116750408) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
PubChem CID116750408
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(F)cc2)CCCCCC1
InChIInChI=1S/C16H21FO2/c1-19-16(10-4-2-3-5-11-16)15(18)12-13-6-8-14(17)9-7-13/h6-9H,2-5,10-12H2,1H3
InChIKeyFLZYFEMZAFFFGK-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
CID 104610156
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750562
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750542
1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
CID 116750546
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
CID 116598390
2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
CID 107308035
1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
CID 116750532
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone (CID 116750408) is 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone is COC1(C(=O)Cc2ccc(F)cc2)CCCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone?
The InChIKey is FLZYFEMZAFFFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-19-16(10-4-2-3-5-11-16)15(18)12-13-6-8-14(17)9-7-13/h6-9H,2-5,10-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone?
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone has a molecular weight of 264.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone is sourced from PubChem (CID 116750408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).