2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid

C8H7F3O2 — CID 123981445

IUPAC2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid
SMILESO=C(O)CC1=C(F)CC(F)C(F)=C1
InChIInChI=1S/C8H7F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,7H,2-3H2,(H,12,13)
InChIKeyLSTRYHZHHSWSBD-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.28
Rot. Bonds2

About 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid

2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid (PubChem CID 123981445) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid
PubChem CID123981445
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid
SMILESO=C(O)CC1=C(F)CC(F)C(F)=C1
InChIInChI=1S/C8H7F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,7H,2-3H2,(H,12,13)
InChIKeyLSTRYHZHHSWSBD-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid?
The IUPAC name of 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid (CID 123981445) is 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid?
The canonical SMILES for 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid is O=C(O)CC1=C(F)CC(F)C(F)=C1.
What is the InChIKey of 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid?
The InChIKey is LSTRYHZHHSWSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,7H,2-3H2,(H,12,13).
What are the key properties of 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid?
2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid has a molecular weight of 192.14 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)acetic acid is sourced from PubChem (CID 123981445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).