1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane

C13H22F2O — CID 76738458

IUPAC1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(C=CC(F)(F)C(C)C)CC1
InChIInChI=1S/C13H22F2O/c1-10(2)13(14,15)8-7-12(5-6-12)9-16-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyIUUDGUQAGVHNGO-UHFFFAOYSA-N
MW232.31 g/mol
LogP4.04
Rot. Bonds6

About 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane

1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane (PubChem CID 76738458) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane
PubChem CID76738458
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(C=CC(F)(F)C(C)C)CC1
InChIInChI=1S/C13H22F2O/c1-10(2)13(14,15)8-7-12(5-6-12)9-16-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyIUUDGUQAGVHNGO-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane?
The IUPAC name of 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane (CID 76738458) is 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane is CC(C)OCC1(C=CC(F)(F)C(C)C)CC1.
What is the InChIKey of 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane?
The InChIKey is IUUDGUQAGVHNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O/c1-10(2)13(14,15)8-7-12(5-6-12)9-16-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane?
1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane has a molecular weight of 232.31 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane is sourced from PubChem (CID 76738458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).