3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane

C9H14F2 — CID 166798484

IUPAC3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane
SMILESCC1C(C)C1C1CC(F)(F)C1
InChIInChI=1S/C9H14F2/c1-5-6(2)8(5)7-3-9(10,11)4-7/h5-8H,3-4H2,1-2H3
InChIKeyOYBFEGSGKDVPFG-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.93
Rot. Bonds1

About 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane

3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane (PubChem CID 166798484) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane.

Molecular Properties

Compound Name3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane
PubChem CID166798484
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane
SMILESCC1C(C)C1C1CC(F)(F)C1
InChIInChI=1S/C9H14F2/c1-5-6(2)8(5)7-3-9(10,11)4-7/h5-8H,3-4H2,1-2H3
InChIKeyOYBFEGSGKDVPFG-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane?
The IUPAC name of 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane (CID 166798484) is 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane.
What is the SMILES notation for 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane?
The canonical SMILES for 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane is CC1C(C)C1C1CC(F)(F)C1.
What is the InChIKey of 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane?
The InChIKey is OYBFEGSGKDVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-5-6(2)8(5)7-3-9(10,11)4-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane?
3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane has a molecular weight of 160.21 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane is sourced from PubChem (CID 166798484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).