1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane

C7H11F — CID 176998398

IUPAC1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1(CF)CC1
InChIInChI=1S/C7H11F/c1-6(2)7(5-8)3-4-7/h1,3-5H2,2H3
InChIKeyJMMYNGVNLAFPDW-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.31
Rot. Bonds2

About 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane

1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane (PubChem CID 176998398) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane.

Molecular Properties

Compound Name1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane
PubChem CID176998398
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1(CF)CC1
InChIInChI=1S/C7H11F/c1-6(2)7(5-8)3-4-7/h1,3-5H2,2H3
InChIKeyJMMYNGVNLAFPDW-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.31
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-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane?
The IUPAC name of 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane (CID 176998398) is 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane.
What is the SMILES notation for 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane?
The canonical SMILES for 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane is C=C(C)C1(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane?
The InChIKey is JMMYNGVNLAFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-6(2)7(5-8)3-4-7/h1,3-5H2,2H3.
What are the key properties of 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane?
1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane has a molecular weight of 114.16 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1-prop-1-en-2-ylcyclopropane is sourced from PubChem (CID 176998398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).