(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone

C16H21FO3 — CID 107176525

IUPAC(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)C2CCCC2(C)C)cc1OC
InChIInChI=1S/C16H21FO3/c1-16(2)7-5-6-11(16)15(18)10-8-13(19-3)14(20-4)9-12(10)17/h8-9,11H,5-7H2,1-4H3
InChIKeyZJVOLFWJAZXPBG-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.85
Rot. Bonds4

About (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone

(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (PubChem CID 107176525) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
PubChem CID107176525
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)C2CCCC2(C)C)cc1OC
InChIInChI=1S/C16H21FO3/c1-16(2)7-5-6-11(16)15(18)10-8-13(19-3)14(20-4)9-12(10)17/h8-9,11H,5-7H2,1-4H3
InChIKeyZJVOLFWJAZXPBG-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107176730
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
1-(2,2-dimethylcyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107186738
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759374

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (CID 107176525) is (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is COc1cc(F)c(C(=O)C2CCCC2(C)C)cc1OC.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The InChIKey is ZJVOLFWJAZXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c1-16(2)7-5-6-11(16)15(18)10-8-13(19-3)14(20-4)9-12(10)17/h8-9,11H,5-7H2,1-4H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone has a molecular weight of 280.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 107176525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).