methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate

C10H7ClFNO2 — CID 171028383

IUPACmethyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate
SMILESCOC(=O)Cc1c(F)cc(C#N)cc1Cl
InChIInChI=1S/C10H7ClFNO2/c1-15-10(14)4-7-8(11)2-6(5-13)3-9(7)12/h2-3H,4H2,1H3
InChIKeyMOJDGXDLRLDKFI-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.07
Rot. Bonds2

About methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate

methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate (PubChem CID 171028383) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate
PubChem CID171028383
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Namemethyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate
SMILESCOC(=O)Cc1c(F)cc(C#N)cc1Cl
InChIInChI=1S/C10H7ClFNO2/c1-15-10(14)4-7-8(11)2-6(5-13)3-9(7)12/h2-3H,4H2,1H3
InChIKeyMOJDGXDLRLDKFI-UHFFFAOYSA-N
XLogP2.07
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-cyano-6-fluorophenyl)acetic acid
CID 119001594
methyl 2-[4-cyano-2-fluoro-6-(trifluoromethyl)phenyl]acetate
CID 165344465
(2-chloro-4-cyano-6-methoxyphenyl) 2-(2-chloro-6-fluorophenyl)acetate
CID 8802243
methyl 2-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]acetate
CID 171029998
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(2-chloro-5-cyano-3-methylphenyl)acetate
CID 171029913
methyl 2-[4-cyano-2-ethyl-6-(hydroxymethyl)phenyl]acetate
CID 134613542
methyl 2-(5-cyano-2,3-diethylphenyl)acetate
CID 134613444
3,5-difluoro-4-(methoxymethyl)benzonitrile
CID 117279334
methyl 2-[(4-cyano-2,6-difluorophenyl)methylamino]-4-methylpentanoate
CID 107037890
methyl 2-(4-cyano-2,5-difluorophenyl)acetate
CID 86694454
2-(2-chloro-4-cyano-6-methylphenyl)acetic acid
CID 119008534

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate?
The IUPAC name of methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate (CID 171028383) is methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate is COC(=O)Cc1c(F)cc(C#N)cc1Cl.
What is the InChIKey of methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate?
The InChIKey is MOJDGXDLRLDKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c1-15-10(14)4-7-8(11)2-6(5-13)3-9(7)12/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate?
methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate has a molecular weight of 227.62 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate is sourced from PubChem (CID 171028383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).