1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane

C9H16F2 — CID 177300443

IUPAC1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
SMILESCC(C)CC1(C)CC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-7(2)4-8(3)5-9(10,11)6-8/h7H,4-6H2,1-3H3
InChIKeyZMXISKMCIVYKAZ-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.47
Rot. Bonds2

About 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane

1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane (PubChem CID 177300443) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
PubChem CID177300443
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
SMILESCC(C)CC1(C)CC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-7(2)4-8(3)5-9(10,11)6-8/h7H,4-6H2,1-3H3
InChIKeyZMXISKMCIVYKAZ-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane
CID 176704387
4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
CID 158706350
2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
CID 176712204
1,1,2-trimethyl-2-(2-methylpropyl)cyclopropane
CID 123147679
3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
CID 115018921
1,1-difluoro-2-(2-methylpropyl)-2-propylcyclopropane
CID 170411670
2,4-dimethyl-4-(2-methylpropyl)pyrrolidine
CID 166463716
4-methyl-1,4-bis(2-methylpropyl)piperidine
CID 176612276
1-[2,2-difluoro-1-(2-methylpropyl)cyclopropyl]-N,N-dimethylmethanamine
CID 170222804
1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane
CID 164768889
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane
CID 59386457

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane?
The IUPAC name of 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane (CID 177300443) is 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane is CC(C)CC1(C)CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane?
The InChIKey is ZMXISKMCIVYKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-7(2)4-8(3)5-9(10,11)6-8/h7H,4-6H2,1-3H3.
What are the key properties of 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane?
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane has a molecular weight of 162.22 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane is sourced from PubChem (CID 177300443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).