2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane

C9H14F2 — CID 170277849

IUPAC2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane
SMILESC=C(C1CC1(F)F)C(C)(C)C
InChIInChI=1S/C9H14F2/c1-6(8(2,3)4)7-5-9(7,10)11/h7H,1,5H2,2-4H3
InChIKeyJRPZIZZCNRBXHU-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.24
Rot. Bonds1

About 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane

2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane (PubChem CID 170277849) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane
PubChem CID170277849
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane
SMILESC=C(C1CC1(F)F)C(C)(C)C
InChIInChI=1S/C9H14F2/c1-6(8(2,3)4)7-5-9(7,10)11/h7H,1,5H2,2-4H3
InChIKeyJRPZIZZCNRBXHU-UHFFFAOYSA-N
XLogP3.24
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 ≤ 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 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane?
The IUPAC name of 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane (CID 170277849) is 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane.
What is the SMILES notation for 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane?
The canonical SMILES for 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane is C=C(C1CC1(F)F)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane?
The InChIKey is JRPZIZZCNRBXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-6(8(2,3)4)7-5-9(7,10)11/h7H,1,5H2,2-4H3.
What are the key properties of 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane?
2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane has a molecular weight of 160.21 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbut-1-en-2-yl)-1,1-difluorocyclopropane is sourced from PubChem (CID 170277849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).