1-(difluoromethyl)cyclopropane-1-carboxylic acid

C5H6F2O2 — CID 68800415

IUPAC1-(difluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)F)CC1
InChIInChI=1S/C5H6F2O2/c6-3(7)5(1-2-5)4(8)9/h3H,1-2H2,(H,8,9)
InChIKeyWVZJZPVSPHHGPJ-UHFFFAOYSA-N
MW136.10 g/mol
LogP1.12
Rot. Bonds2

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

1-(difluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 68800415) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID68800415
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Name1-(difluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)F)CC1
InChIInChI=1S/C5H6F2O2/c6-3(7)5(1-2-5)4(8)9/h3H,1-2H2,(H,8,9)
InChIKeyWVZJZPVSPHHGPJ-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 51.12
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
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
1-(Trifluoromethyl)cyclopropane-1-carboxylic acid
CID 2778306
(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-(difluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(difluoromethyl)cyclopropane-1-carboxylic acid (CID 68800415) is 1-(difluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(difluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(difluoromethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is WVZJZPVSPHHGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O2/c6-3(7)5(1-2-5)4(8)9/h3H,1-2H2,(H,8,9).
What are the key properties of 1-(difluoromethyl)cyclopropane-1-carboxylic acid?
1-(difluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 136.10 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68800415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).