2-(4-chlorophenyl)-2-fluoroacetic acid

C8H6ClFO2 — CID 12602113

IUPAC2-(4-chlorophenyl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H6ClFO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyRLCNEBPZNGMKMO-UHFFFAOYSA-N
MW188.58 g/mol
LogP2.44
Rot. Bonds2

About 2-(4-chlorophenyl)-2-fluoroacetic acid

2-(4-chlorophenyl)-2-fluoroacetic acid (PubChem CID 12602113) has the molecular formula C8H6ClFO2 and a molecular weight of 188.58 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-fluoroacetic acid
PubChem CID12602113
Molecular FormulaC8H6ClFO2
Molecular Weight188.58 g/mol
Exact Mass188.00
IUPAC Name2-(4-chlorophenyl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H6ClFO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyRLCNEBPZNGMKMO-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.58
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
methyl 3-(4-chlorophenyl)-3-fluoro-2-oxopropanoate
CID 12886210
2-fluoro-2-(4-methylsulfanylphenyl)acetic acid
CID 22350081
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
(4-chlorophenyl)-fluoromethanol
CID 174952192
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
2-[4-(4-chlorophenyl)phenyl]-2-hydroxyacetic acid
CID 19793104
2-[bis(4-chlorophenyl)methylsulfanyl]-4,4-difluoro-3-oxobutanoic acid
CID 22049815
2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115524530
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-fluoroacetic acid (CID 12602113) is 2-(4-chlorophenyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-fluoroacetic acid is O=C(O)C(F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-fluoroacetic acid?
The InChIKey is RLCNEBPZNGMKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,(H,11,12).
What are the key properties of 2-(4-chlorophenyl)-2-fluoroacetic acid?
2-(4-chlorophenyl)-2-fluoroacetic acid has a molecular weight of 188.58 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-fluoroacetic acid is sourced from PubChem (CID 12602113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).