3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid

C7H10F2O3 — CID 57319592

IUPAC3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(OC(F)F)C1C(=O)O
InChIInChI=1S/C7H10F2O3/c1-7(2)3(5(10)11)4(7)12-6(8)9/h3-4,6H,1-2H3,(H,10,11)
InChIKeyLIBDROZPHDATAS-UHFFFAOYSA-N
MW180.15 g/mol
LogP1.33
Rot. Bonds3

About 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 57319592) has the molecular formula C7H10F2O3 and a molecular weight of 180.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID57319592
Molecular FormulaC7H10F2O3
Molecular Weight180.15 g/mol
Exact Mass180.06
IUPAC Name3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(OC(F)F)C1C(=O)O
InChIInChI=1S/C7H10F2O3/c1-7(2)3(5(10)11)4(7)12-6(8)9/h3-4,6H,1-2H3,(H,10,11)
InChIKeyLIBDROZPHDATAS-UHFFFAOYSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-(difluoromethyl)-1-propan-2-yloxycarbonylcyclopropane-1-carboxylic acid
CID 118159956
(1S)-2-(difluoromethyl)-1-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 134469317
rac-(1R,2S)-1-(ethoxycarbonyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 165592163
3-(2,2,2-Trifluoroethoxy)-2,2-dimethylcyclopropanecarboxylic acid
CID 20304942
Ethyl 3-(2,2,2-trifluoroethoxy)-2,2-dimethylcyclopropanecarboxylate
CID 20344544
Methyl 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxylate
CID 20454496
2,2,3-Trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid
CID 57132163
2,2-Dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid
CID 57277884
2-(Difluoromethyl)-1-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 124171533
(1S,2R)-2-(difluoromethyl)-1-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 124171542
1-Ethoxycarbonyl-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 124171546
cis-(1S,2R)-2-(difluoromethyl)-1-methoxycarbonylcyclopropane-1-carboxylic acid
CID 124171548

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 57319592) is 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(OC(F)F)C1C(=O)O.
What is the InChIKey of 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is LIBDROZPHDATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O3/c1-7(2)3(5(10)11)4(7)12-6(8)9/h3-4,6H,1-2H3,(H,10,11).
What are the key properties of 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 180.15 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 57319592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).