methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate

C13H14ClFO2 — CID 83925307

IUPACmethyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFO2/c1-17-13(16)10-7-8(10)5-6-9-11(14)3-2-4-12(9)15/h2-4,8,10H,5-7H2,1H3
InChIKeyAIMUHCDNINFWIP-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.22
Rot. Bonds4

About methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate

methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate (PubChem CID 83925307) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate
PubChem CID83925307
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Namemethyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFO2/c1-17-13(16)10-7-8(10)5-6-9-11(14)3-2-4-12(9)15/h2-4,8,10H,5-7H2,1H3
InChIKeyAIMUHCDNINFWIP-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate
CID 83922563
methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate
CID 83924997
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101
methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925556
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745251
2-[(2-chloro-6-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021366
3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine
CID 130901330
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014979
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
(3S,4S)-1-[2-(2-chloro-6-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120766

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate (CID 83925307) is methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CCc1c(F)cccc1Cl.
What is the InChIKey of methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is AIMUHCDNINFWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c1-17-13(16)10-7-8(10)5-6-9-11(14)3-2-4-12(9)15/h2-4,8,10H,5-7H2,1H3.
What are the key properties of methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate?
methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 256.70 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83925307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).