methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate

C12H10FNO2 — CID 58915196

IUPACmethyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(C#N)c(F)c2)CC1
InChIInChI=1S/C12H10FNO2/c1-16-11(15)12(4-5-12)9-3-2-8(7-14)10(13)6-9/h2-3,6H,4-5H2,1H3
InChIKeyLRZAWJOXBTYQQN-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.90
Rot. Bonds2

About methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate

methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 58915196) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID58915196
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Namemethyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(C#N)c(F)c2)CC1
InChIInChI=1S/C12H10FNO2/c1-16-11(15)12(4-5-12)9-3-2-8(7-14)10(13)6-9/h2-3,6H,4-5H2,1H3
InChIKeyLRZAWJOXBTYQQN-UHFFFAOYSA-N
XLogP1.90
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872
methyl 1-(4-bromo-3-fluorophenyl)cyclobutane-1-carboxylate
CID 116989068
(1-propoxycyclohexyl)methyl 1-(4-cyano-3-fluorophenyl)cyclohexane-1-carboxylate
CID 57052330
methyl 1-(5-bromo-2-cyanophenyl)cyclopropane-1-carboxylate
CID 155973059
methyl 1-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxylate
CID 116963906
methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
CID 116963958
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
CID 89448912
methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate
CID 71266207
methyl 4-(4-bromophenyl)-1-[2-cyano-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 156502622
methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
CID 116964008

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate (CID 58915196) is methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(C#N)c(F)c2)CC1.
What is the InChIKey of methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is LRZAWJOXBTYQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-16-11(15)12(4-5-12)9-3-2-8(7-14)10(13)6-9/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate?
methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 219.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-cyano-3-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 58915196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).