cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone

C13H14F2O2 — CID 82647770

IUPACcyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)C2CCCC2)cc1F
InChIInChI=1S/C13H14F2O2/c1-17-12-7-10(14)9(6-11(12)15)13(16)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyKQNBWRZYSMOXJP-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.35
Rot. Bonds3

About cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone

cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone (PubChem CID 82647770) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
PubChem CID82647770
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namecyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)C2CCCC2)cc1F
InChIInChI=1S/C13H14F2O2/c1-17-12-7-10(14)9(6-11(12)15)13(16)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyKQNBWRZYSMOXJP-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone
CID 146006116
(4,5-difluoro-2-methoxyphenyl)-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171940539
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525
cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone
CID 89436250
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone?
The IUPAC name of cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone (CID 82647770) is cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone?
The canonical SMILES for cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone is COc1cc(F)c(C(=O)C2CCCC2)cc1F.
What is the InChIKey of cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone?
The InChIKey is KQNBWRZYSMOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-17-12-7-10(14)9(6-11(12)15)13(16)8-4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone?
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone has a molecular weight of 240.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 82647770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).