3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid

C9H14F2O2 — CID 115018921

IUPAC3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C9H14F2O2/c1-6(2)3-8(7(12)13)4-9(10,11)5-8/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyJJZVYIGURFERNH-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.53
Rot. Bonds3

About 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid

3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid (PubChem CID 115018921) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
PubChem CID115018921
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C9H14F2O2/c1-6(2)3-8(7(12)13)4-9(10,11)5-8/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyJJZVYIGURFERNH-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
CID 118062622
3,3-difluoro-1-(methoxymethyl)cyclobutane-1-carboxylic acid
CID 155943483
(1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 58720022
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 63140661
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
methyl 1-(bromomethyl)-3,3-difluorocyclobutane-1-carboxylate
CID 146155096
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866
3,3-difluoro-1-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxylic acid
CID 170909967
4-(cyclopropanecarbonyl)-1-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxylic acid
CID 57142013

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid (CID 115018921) is 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid is CC(C)CC1(C(=O)O)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid?
The InChIKey is JJZVYIGURFERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-6(2)3-8(7(12)13)4-9(10,11)5-8/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid?
3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid has a molecular weight of 192.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115018921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).