methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate

C11H10ClFO2 — CID 116964008

IUPACmethyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C11H10ClFO2/c1-15-10(14)11(4-5-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3
InChIKeyNAPSSTRJYBODAV-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.68
Rot. Bonds2

About methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate

methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 116964008) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID116964008
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Namemethyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C11H10ClFO2/c1-15-10(14)11(4-5-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3
InChIKeyNAPSSTRJYBODAV-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3454678
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
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methyl 1-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxylate
CID 116963906
methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate
CID 140648492
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966
methyl 1-[2-(5-chloro-2,4-difluorophenyl)-3-fluoro-4-pyridinyl]cyclopropane-1-carboxylate
CID 169264966
methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate
CID 141259182
methyl 1-(3,4-difluoro-2-methylphenyl)cyclopentane-1-carboxylate;methylsulfanylmethane
CID 144726984
methyl 6-chloro-4-hydroxy-2,3-dihydrothiochromene-4-carboxylate
CID 131526407
methyl 1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79733584
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate (CID 116964008) is methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2cc(Cl)ccc2F)CC1.
What is the InChIKey of methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is NAPSSTRJYBODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO2/c1-15-10(14)11(4-5-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate?
methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 228.65 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116964008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).