methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate

C16H18F2O4 — CID 58304059

IUPACmethyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CC(=O)c2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C16H18F2O4/c1-21-14(20)16(8-2-3-9-16)10-13(19)11-4-6-12(7-5-11)22-15(17)18/h4-7,15H,2-3,8-10H2,1H3
InChIKeyJQQNJACBVRBCHB-UHFFFAOYSA-N
MW312.31 g/mol
LogP3.59
Rot. Bonds6

About methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate

methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate (PubChem CID 58304059) has the molecular formula C16H18F2O4 and a molecular weight of 312.31 g/mol. Its IUPAC name is methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate
PubChem CID58304059
Molecular FormulaC16H18F2O4
Molecular Weight312.31 g/mol
Exact Mass312.12
IUPAC Namemethyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CC(=O)c2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C16H18F2O4/c1-21-14(20)16(8-2-3-9-16)10-13(19)11-4-6-12(7-5-11)22-15(17)18/h4-7,15H,2-3,8-10H2,1H3
InChIKeyJQQNJACBVRBCHB-UHFFFAOYSA-N
XLogP3.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate
CID 17024669
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58304082
4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62518563
[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate
CID 90309618
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 81485479
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450
methyl 1-(2-methylprop-2-enyl)cyclopentane-1-carboxylate
CID 123177343
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
2-[1-(aminomethyl)cyclohexyl]-1-(4-propan-2-yloxyphenyl)ethanone
CID 116614346
propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate
CID 55664888

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate (CID 58304059) is methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate is COC(=O)C1(CC(=O)c2ccc(OC(F)F)cc2)CCCC1.
What is the InChIKey of methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate?
The InChIKey is JQQNJACBVRBCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O4/c1-21-14(20)16(8-2-3-9-16)10-13(19)11-4-6-12(7-5-11)22-15(17)18/h4-7,15H,2-3,8-10H2,1H3.
What are the key properties of methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate?
methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate has a molecular weight of 312.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 58304059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).