2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid

C6H8F2O2 — CID 45084724

IUPAC2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(F)F
InChIInChI=1S/C6H8F2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10)
InChIKeyBNACPCLAGCBIHL-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.36
Rot. Bonds1

About 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid

2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 45084724) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID45084724
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(F)F
InChIInChI=1S/C6H8F2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10)
InChIKeyBNACPCLAGCBIHL-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethylcyclopropane-1-carboxylic acid
CID 260708
1-Fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
CID 42626120
2,2,3,3-Tetramethylcyclopropanecarboxylic acid
CID 152115
(1S)-2,2-Dimethylcyclopropane-1-carboxylic acid
CID 10192561
2-Cyclopropylpropanoic acid
CID 21256867
rac-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 13379936
1-Ethyl-2,2-difluorocyclopropane-1-carboxylic acid
CID 137698959
(1S,2R)-2-(Difluoromethyl)cyclopropanecarboxylic acid
CID 124539982
rac-(1R,3S)-2,2-difluoro-3-methylcyclopropane-1-carboxylic acid
CID 95241077
2-(2,2-Difluorocyclopropyl)acetic acid
CID 14458503
2-(Trifluoromethyl)pentanoic acid
CID 20539748
3,3-Difluoro-2,2-dimethylpentanoic acid
CID 21652959

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid (CID 45084724) is 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1(F)F.
What is the InChIKey of 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is BNACPCLAGCBIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10).
What are the key properties of 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid?
2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 150.12 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 45084724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).