3-(trifluoromethyl)cyclobutane-1-carboxylic acid

C6H7F3O2 — CID 53417580

IUPAC3-(trifluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(C(F)(F)F)C1
InChIInChI=1S/C6H7F3O2/c7-6(8,9)4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11)
InChIKeyZSULKAPJHICPKB-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.66
Rot. Bonds1

About 3-(trifluoromethyl)cyclobutane-1-carboxylic acid

3-(trifluoromethyl)cyclobutane-1-carboxylic acid (PubChem CID 53417580) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclobutane-1-carboxylic acid
PubChem CID53417580
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name3-(trifluoromethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(C(F)(F)F)C1
InChIInChI=1S/C6H7F3O2/c7-6(8,9)4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11)
InChIKeyZSULKAPJHICPKB-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 2776799
1-(Trifluoromethyl)cyclobutanecarboxylic acid
CID 2782838
3,3-Difluorocyclobutane-1-carboxylic acid
CID 13777789
1-Fluorocyclobutanecarboxylic acid
CID 21187532
3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 10631207
rac-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 13379936
(1S,2R)-2-(Difluoromethyl)cyclopropanecarboxylic acid
CID 124539982
2-(2,2-Difluorocyclopropyl)acetic acid
CID 14458503
3-Fluorocyclobutane-1-carboxylic acid
CID 18690690
2-(Trifluoromethyl)pentanoic acid
CID 20539748
2-Chloro-2,3,3-trifluorocyclobutane-1-carboxylicacid
CID 21407681
2,2,3,3-Tetrafluorocyclobutane-1-carboxylic acid
CID 22572613

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)cyclobutane-1-carboxylic acid (CID 53417580) is 3-(trifluoromethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)cyclobutane-1-carboxylic acid is O=C(O)C1CC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)cyclobutane-1-carboxylic acid?
The InChIKey is ZSULKAPJHICPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c7-6(8,9)4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11).
What are the key properties of 3-(trifluoromethyl)cyclobutane-1-carboxylic acid?
3-(trifluoromethyl)cyclobutane-1-carboxylic acid has a molecular weight of 168.11 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 53417580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).