2-[2,3-bis(trifluoromethyl)phenyl]acetic acid

C10H6F6O2 — CID 22556101

IUPAC2-[2,3-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H6F6O2/c11-9(12,13)6-3-1-2-5(4-7(17)18)8(6)10(14,15)16/h1-3H,4H2,(H,17,18)
InChIKeyOBCHIDMKONRPKC-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.35
Rot. Bonds2

About 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid

2-[2,3-bis(trifluoromethyl)phenyl]acetic acid (PubChem CID 22556101) has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,3-bis(trifluoromethyl)phenyl]acetic acid
PubChem CID22556101
Molecular FormulaC10H6F6O2
Molecular Weight272.14 g/mol
Exact Mass272.03
IUPAC Name2-[2,3-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H6F6O2/c11-9(12,13)6-3-1-2-5(4-7(17)18)8(6)10(14,15)16/h1-3H,4H2,(H,17,18)
InChIKeyOBCHIDMKONRPKC-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenylacetic Acid
CID 999
1-Naphthaleneacetic Acid
CID 6862
2-Phenylpropionic acid
CID 10296
2-Phenylbutyric Acid
CID 7012
2-(4-Fluorophenyl)acetic acid
CID 9837
m-Tolylacetic acid
CID 12121
3-Biphenylylacetic acid
CID 32153
Jnj-40418677
CID 52939724
2,6-Difluorophenylacetic acid
CID 123585
Benzeneacetic acid, 2-fluoro-
CID 67979
Mesitylacetic acid
CID 78123
3-Fluorophenylacetic acid
CID 67617

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid (CID 22556101) is 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1cccc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid?
The InChIKey is OBCHIDMKONRPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2/c11-9(12,13)6-3-1-2-5(4-7(17)18)8(6)10(14,15)16/h1-3H,4H2,(H,17,18).
What are the key properties of 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid?
2-[2,3-bis(trifluoromethyl)phenyl]acetic acid has a molecular weight of 272.14 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 22556101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).