1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane

C8H12F2 — CID 134570945

IUPAC1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1(C(C)(F)F)CC1
InChIInChI=1S/C8H12F2/c1-6(2)8(4-5-8)7(3,9)10/h1,4-5H2,2-3H3
InChIKeyKBXNSELPXUQWOO-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.00
Rot. Bonds2

About 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane

1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane (PubChem CID 134570945) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane
PubChem CID134570945
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1(C(C)(F)F)CC1
InChIInChI=1S/C8H12F2/c1-6(2)8(4-5-8)7(3,9)10/h1,4-5H2,2-3H3
InChIKeyKBXNSELPXUQWOO-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.00
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)-1-prop-1-en-2-ylcyclopropane?
The IUPAC name of 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane (CID 134570945) is 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane?
The canonical SMILES for 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane is C=C(C)C1(C(C)(F)F)CC1.
What is the InChIKey of 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane?
The InChIKey is KBXNSELPXUQWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-6(2)8(4-5-8)7(3,9)10/h1,4-5H2,2-3H3.
What are the key properties of 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane?
1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane has a molecular weight of 146.18 g/mol, XLogP of 3.00, 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)-1-prop-1-en-2-ylcyclopropane is sourced from PubChem (CID 134570945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).