2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid

C10H8F4O2 — CID 91883083

IUPAC2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC(F)(F)F)c(F)c1
InChIInChI=1S/C10H8F4O2/c11-8-3-6(4-9(15)16)1-2-7(8)5-10(12,13)14/h1-3H,4-5H2,(H,15,16)
InChIKeyGJZNGPFGHLEWNY-UHFFFAOYSA-N
MW236.16 g/mol
LogP2.56
Rot. Bonds3

About 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid

2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid (PubChem CID 91883083) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
PubChem CID91883083
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC(F)(F)F)c(F)c1
InChIInChI=1S/C10H8F4O2/c11-8-3-6(4-9(15)16)1-2-7(8)5-10(12,13)14/h1-3H,4-5H2,(H,15,16)
InChIKeyGJZNGPFGHLEWNY-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-iodo-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
CID 91883200
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 170915483
2,5-bis(2,2,2-trifluoroethyl)benzoic acid
CID 87232207
2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde
CID 122575553
2-[3-(bromomethyl)-4-fluorophenyl]acetic acid
CID 99769915
2-[4-(3-amino-1,2-dihydroxypropyl)-3-fluorophenyl]acetic acid
CID 170828561
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
2-[3-fluoro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
CID 171617123
3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838253
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid (CID 91883083) is 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid is O=C(O)Cc1ccc(CC(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid?
The InChIKey is GJZNGPFGHLEWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c11-8-3-6(4-9(15)16)1-2-7(8)5-10(12,13)14/h1-3H,4-5H2,(H,15,16).
What are the key properties of 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid?
2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid has a molecular weight of 236.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid is sourced from PubChem (CID 91883083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).