2-(3,3-difluoro-1-methylcyclobutyl)acetic acid

C7H10F2O2 — CID 118062640

IUPAC2-(3,3-difluoro-1-methylcyclobutyl)acetic acid
SMILESCC1(CC(=O)O)CC(F)(F)C1
InChIInChI=1S/C7H10F2O2/c1-6(2-5(10)11)3-7(8,9)4-6/h2-4H2,1H3,(H,10,11)
InChIKeyVSKLQNOSDXIRDP-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.90
Rot. Bonds2

About 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid

2-(3,3-difluoro-1-methylcyclobutyl)acetic acid (PubChem CID 118062640) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid.

Molecular Properties

Compound Name2-(3,3-difluoro-1-methylcyclobutyl)acetic acid
PubChem CID118062640
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name2-(3,3-difluoro-1-methylcyclobutyl)acetic acid
SMILESCC1(CC(=O)O)CC(F)(F)C1
InChIInChI=1S/C7H10F2O2/c1-6(2-5(10)11)3-7(8,9)4-6/h2-4H2,1H3,(H,10,11)
InChIKeyVSKLQNOSDXIRDP-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclobutanecarboxylic acid, 3-ethyl-3-methyl-
CID 47803
1-(Trifluoromethyl)cyclobutanecarboxylic acid
CID 2782838
1-Ethylcyclobutane-1-carboxylic acid
CID 21996033
1-(Trifluoromethyl)cyclopentane-1-carboxylic acid
CID 15507525
3,3-Difluoro-2,2-dimethylpentanoic acid
CID 21652959
3-Ethyl-1-methylcyclobutane-1-carboxylic acid
CID 23344521
3,3-Difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
1,2-Dimethylcyclobutane-1-carboxylic acid
CID 54497946
2,2-Difluoro-4,4-dimethylpentanoic acid
CID 58468265
5,5,5-Trifluoro-3,3-dimethylpentanoic acid
CID 59706993
1-Ethyl-3,3-difluorocyclopentane-1-carboxylic acid
CID 68932475
2-(3,3-Difluorocyclobutyl)acetic acid
CID 71743770

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid?
The IUPAC name of 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid (CID 118062640) is 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid.
What is the SMILES notation for 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid?
The canonical SMILES for 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid is CC1(CC(=O)O)CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid?
The InChIKey is VSKLQNOSDXIRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-6(2-5(10)11)3-7(8,9)4-6/h2-4H2,1H3,(H,10,11).
What are the key properties of 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid?
2-(3,3-difluoro-1-methylcyclobutyl)acetic acid has a molecular weight of 164.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1-methylcyclobutyl)acetic acid is sourced from PubChem (CID 118062640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).