1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane

C9H14F2 — CID 123925830

IUPAC1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane
SMILESCC=CC1CC(C(C)(F)F)C1
InChIInChI=1S/C9H14F2/c1-3-4-7-5-8(6-7)9(2,10)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJJVOMGLZLQSTDL-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.24
Rot. Bonds2

About 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane

1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane (PubChem CID 123925830) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane
PubChem CID123925830
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane
SMILESCC=CC1CC(C(C)(F)F)C1
InChIInChI=1S/C9H14F2/c1-3-4-7-5-8(6-7)9(2,10)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJJVOMGLZLQSTDL-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane?
The IUPAC name of 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane (CID 123925830) is 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane is CC=CC1CC(C(C)(F)F)C1.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane?
The InChIKey is JJVOMGLZLQSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-3-4-7-5-8(6-7)9(2,10)11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane?
1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane has a molecular weight of 160.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane is sourced from PubChem (CID 123925830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).