2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid

C9H5ClFNO2 — CID 118816538

IUPAC2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid
SMILESN#Cc1cc(CC(=O)O)cc(F)c1Cl
InChIInChI=1S/C9H5ClFNO2/c10-9-6(4-12)1-5(2-7(9)11)3-8(13)14/h1-2H,3H2,(H,13,14)
InChIKeyUNMDHLXRHOYIAR-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid

2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid (PubChem CID 118816538) has the molecular formula C9H5ClFNO2 and a molecular weight of 213.59 g/mol. Its IUPAC name is 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid
PubChem CID118816538
Molecular FormulaC9H5ClFNO2
Molecular Weight213.59 g/mol
Exact Mass213.00
IUPAC Name2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid
SMILESN#Cc1cc(CC(=O)O)cc(F)c1Cl
InChIInChI=1S/C9H5ClFNO2/c10-9-6(4-12)1-5(2-7(9)11)3-8(13)14/h1-2H,3H2,(H,13,14)
InChIKeyUNMDHLXRHOYIAR-UHFFFAOYSA-N
XLogP1.98
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid
CID 119022246
2-[5-(chloromethyl)-2-cyano-3-fluorophenyl]acetic acid
CID 131370900
2-[3-(chloromethyl)-5-cyano-4-(difluoromethoxy)phenyl]acetic acid
CID 134626534
2-[4-(bromomethyl)-3-cyano-5-ethylphenyl]acetic acid
CID 131262377
2-(3-cyano-4-hydroxy-5-methoxyphenyl)acetic acid
CID 117295414
2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid
CID 134655781
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 83898337
2-(2-chloro-4-cyano-6-fluorophenyl)acetic acid
CID 119001594
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
2-(3,5-diamino-4-chlorophenyl)acetic acid
CID 70542529
2-[2-(chloromethyl)-6-cyano-3-fluorophenyl]acetic acid
CID 131291088

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid?
The IUPAC name of 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid (CID 118816538) is 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid?
The canonical SMILES for 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid is N#Cc1cc(CC(=O)O)cc(F)c1Cl.
What is the InChIKey of 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid?
The InChIKey is UNMDHLXRHOYIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO2/c10-9-6(4-12)1-5(2-7(9)11)3-8(13)14/h1-2H,3H2,(H,13,14).
What are the key properties of 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid?
2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid has a molecular weight of 213.59 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid is sourced from PubChem (CID 118816538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).