1-(trifluoromethyl)cyclopropane-1-carboxylic acid

C5H5F3O2 — CID 2778306

IUPAC1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)
InChIKeySKCBKBCACWDALV-UHFFFAOYSA-N
MW154.09 g/mol
LogP1.41
Rot. Bonds1

About 1-(trifluoromethyl)cyclopropane-1-carboxylic acid

1-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 2778306) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID2778306
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)
InChIKeySKCBKBCACWDALV-UHFFFAOYSA-N
XLogP1.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Fluorocyclopropane-1-carboxylic acid
CID 9793715
3,3-Difluoro-2,2-dimethylbutanoic acid
CID 19771340
1-(Difluoromethyl)cyclopropane-1-carboxylic acid
CID 68800415
2,2-Difluorocyclopropane-1-carboxylic acid
CID 2782823
rac-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 13379936
2,2-Difluoro-1-methylcyclopropane-1-carboxylic acid
CID 14695229
2-Fluoro-1-methylcyclopropane-1-carboxylic acid
CID 14699638
1-Ethyl-2,2-difluorocyclopropane-1-carboxylic acid
CID 137698959
(1S,2R)-2-(Difluoromethyl)cyclopropanecarboxylic acid
CID 124539982
(1R)-2,2-difluorocyclopropane-1-carboxylic acid
CID 7016556
(1S)-2,2-difluorocyclopropane-1-carboxylic acid
CID 7171884
4,4,4-Trifluoro-2,2-dimethylbutanoic acid
CID 10057937

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 2778306) is 1-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(trifluoromethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is SKCBKBCACWDALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10).
What are the key properties of 1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
1-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 154.09 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 2778306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).