2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid

C11H6F2N2O3 — CID 139844769

IUPAC2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid
SMILESCOc1c(F)c(C#N)c(C#N)c(F)c1CC(=O)O
InChIInChI=1S/C11H6F2N2O3/c1-18-11-5(2-8(16)17)9(12)6(3-14)7(4-15)10(11)13/h2H2,1H3,(H,16,17)
InChIKeyIVLKCKKTPDTFPJ-UHFFFAOYSA-N
MW252.18 g/mol
LogP1.34
Rot. Bonds3

About 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid

2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid (PubChem CID 139844769) has the molecular formula C11H6F2N2O3 and a molecular weight of 252.18 g/mol. Its IUPAC name is 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid
PubChem CID139844769
Molecular FormulaC11H6F2N2O3
Molecular Weight252.18 g/mol
Exact Mass252.03
IUPAC Name2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid
SMILESCOc1c(F)c(C#N)c(C#N)c(F)c1CC(=O)O
InChIInChI=1S/C11H6F2N2O3/c1-18-11-5(2-8(16)17)9(12)6(3-14)7(4-15)10(11)13/h2H2,1H3,(H,16,17)
InChIKeyIVLKCKKTPDTFPJ-UHFFFAOYSA-N
XLogP1.34
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
4-cyano-2,5-difluoro-3-methoxy-6-methylbenzoic acid
CID 164945972
2-(6-bromo-3-cyano-2-methoxyphenyl)acetic acid
CID 131336357
2-(3-bromo-6-cyano-2-methoxyphenyl)acetic acid
CID 131336345
2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118799601
2-[3-(chloromethyl)-6-cyano-2-methoxyphenyl]acetic acid
CID 131393292
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
3,6-difluoro-4-methoxy-5-phenoxybenzene-1,2-dicarbonitrile
CID 139615505
2-(6-cyano-2-fluoro-3-methylphenyl)acetic acid
CID 131168116
2-(2-cyano-3,6-diethylphenyl)acetic acid
CID 119014105
2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid (CID 139844769) is 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid is COc1c(F)c(C#N)c(C#N)c(F)c1CC(=O)O.
What is the InChIKey of 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid?
The InChIKey is IVLKCKKTPDTFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O3/c1-18-11-5(2-8(16)17)9(12)6(3-14)7(4-15)10(11)13/h2H2,1H3,(H,16,17).
What are the key properties of 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid?
2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid has a molecular weight of 252.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid is sourced from PubChem (CID 139844769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).