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

C7H10F2O2 — CID 167719562

IUPAC3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)CC1(F)F
InChIInChI=1S/C7H10F2O2/c1-6(2)4(5(10)11)3-7(6,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyDPLSERWVUGVXJR-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.75
Rot. Bonds1

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

3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 167719562) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID167719562
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)CC1(F)F
InChIInChI=1S/C7H10F2O2/c1-6(2)4(5(10)11)3-7(6,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyDPLSERWVUGVXJR-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethylcyclobutane-1-carboxylic acid
CID 544657
Cyclobutanecarboxylic acid, 3-tert-butyl-
CID 47805
2,2-Difluorospiro[2.3]hexane-1-carboxylic acid
CID 130743894
1,2-Dimethylcyclobutane-1-carboxylic acid
CID 54497946
2-(3,3-Difluorocyclobutyl)acetic acid
CID 71743770
2-[3-(Fluoromethyl)cyclobutyl]acetic acid
CID 84716335
3,3-Difluoro-1-methylcyclopentane-1-carboxylic acid
CID 84764728
1-(1,1-Difluoroethyl)cyclobutane-1-carboxylic acid
CID 84764732
rac-(1R,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid
CID 96581652
2-Cyclobutyl-2,2-difluoroacetic acid
CID 105429383
1,1-Difluoro-5-methylspiro(2.3)hexane-5-carboxylic acid
CID 118061823
3-(Difluoromethyl)-1-methylcyclobutane-1-carboxylic acid
CID 118062043

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid (CID 167719562) is 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid is CC1(C)C(C(=O)O)CC1(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is DPLSERWVUGVXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-6(2)4(5(10)11)3-7(6,8)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid?
3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 164.15 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 167719562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).