2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid

C14H9Cl2FO2 — CID 118835610

IUPAC2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C14H9Cl2FO2/c15-11-3-1-2-10(14(11)16)8-4-5-9(7-13(18)19)12(17)6-8/h1-6H,7H2,(H,18,19)
InChIKeyBCKWJBCPFROHLI-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.43
Rot. Bonds3

About 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid

2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid (PubChem CID 118835610) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
PubChem CID118835610
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Name2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C14H9Cl2FO2/c15-11-3-1-2-10(14(11)16)8-4-5-9(7-13(18)19)12(17)6-8/h1-6H,7H2,(H,18,19)
InChIKeyBCKWJBCPFROHLI-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499
ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate
CID 134617655
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
CID 118829634
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
4-[4-(2,3-dichlorophenyl)phenyl]-4-oxobutanoic acid
CID 21437985
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
2-(4-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 115815728
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid (CID 118835610) is 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid is O=C(O)Cc1ccc(-c2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid?
The InChIKey is BCKWJBCPFROHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c15-11-3-1-2-10(14(11)16)8-4-5-9(7-13(18)19)12(17)6-8/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid?
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid has a molecular weight of 299.13 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid is sourced from PubChem (CID 118835610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).