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'}

Analyze 1-(1,1-difluoroethyl)-1-prop-1-en-2-ylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Isopropenyl-2-methyl-1,1-difluorocyclopropane
CID 11105399
1,1-Diisopropenylcyclopropane
CID 14529887
1-(3-Methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclopropane
CID 70564307
1-Buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane
CID 123501092
1-(2-Methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane
CID 137394531
2,3,4-Trimethyl-3-(trifluoromethyl)penta-1,4-diene
CID 138468401
1-Prop-1-en-2-yl-1-(trifluoromethyl)cyclopropane
CID 138517586
1-(3-Methylbut-3-enyl)-1-(trifluoromethyl)cyclopropane
CID 139296368
1-(Difluoromethyl)-1-(2-methylprop-2-enyl)cyclopropane
CID 145229739
5,5-Difluoro-2,4,4-trimethylpent-1-ene
CID 153345743
1,1-Difluoro-2-methyl-2-(3-methylbut-2-enyl)cyclopropane
CID 156424101
5,5,5-Trifluoro-2,4,4-trimethylpent-1-ene
CID 162549843

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).