1,1-difluoro-3-(2-methylbutyl)cyclobutane

C9H16F2 — CID 89243955

IUPAC1,1-difluoro-3-(2-methylbutyl)cyclobutane
SMILESCCC(C)CC1CC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-3-7(2)4-8-5-9(10,11)6-8/h7-8H,3-6H2,1-2H3
InChIKeyMNZZIDNJYSRHDA-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.47
Rot. Bonds3

About 1,1-difluoro-3-(2-methylbutyl)cyclobutane

1,1-difluoro-3-(2-methylbutyl)cyclobutane (PubChem CID 89243955) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methylbutyl)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methylbutyl)cyclobutane
PubChem CID89243955
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name1,1-difluoro-3-(2-methylbutyl)cyclobutane
SMILESCCC(C)CC1CC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-3-7(2)4-8-5-9(10,11)6-8/h7-8H,3-6H2,1-2H3
InChIKeyMNZZIDNJYSRHDA-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(2-methylbutyl)cyclobutane?
The IUPAC name of 1,1-difluoro-3-(2-methylbutyl)cyclobutane (CID 89243955) is 1,1-difluoro-3-(2-methylbutyl)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(2-methylbutyl)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-(2-methylbutyl)cyclobutane is CCC(C)CC1CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(2-methylbutyl)cyclobutane?
The InChIKey is MNZZIDNJYSRHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-3-7(2)4-8-5-9(10,11)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-3-(2-methylbutyl)cyclobutane?
1,1-difluoro-3-(2-methylbutyl)cyclobutane has a molecular weight of 162.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(2-methylbutyl)cyclobutane is sourced from PubChem (CID 89243955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).