1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane

C9H14F2O — CID 77744083

IUPAC1-(3,3-difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane
SMILESCC(C=CC1(CC1)COC)(F)F
InChIInChI=1S/C9H14F2O/c1-8(10,11)3-4-9(5-6-9)7-12-2/h3-4H,5-7H2,1-2H3
InChIKeyMSDBUEXCQRNIDK-UHFFFAOYSA-N
MW176.20 g/mol
LogP2.20
Rot. Bonds4

About 1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane

1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane (PubChem CID 77744083) has the molecular formula C9H14F2O and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-(3,3-difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane
PubChem CID77744083
Molecular FormulaC9H14F2O
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name1-(3,3-difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane
SMILESCC(C=CC1(CC1)COC)(F)F
InChIInChI=1S/C9H14F2O/c1-8(10,11)3-4-9(5-6-9)7-12-2/h3-4H,5-7H2,1-2H3
InChIKeyMSDBUEXCQRNIDK-UHFFFAOYSA-N
XLogP2.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity183

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane?
The IUPAC name of 1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane (CID 77744083) is 1-(3,3-difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane.
What is the SMILES notation for 1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane?
The canonical SMILES for 1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane is CC(C=CC1(CC1)COC)(F)F.
What is the InChIKey of 1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane?
The InChIKey is MSDBUEXCQRNIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-8(10,11)3-4-9(5-6-9)7-12-2/h3-4H,5-7H2,1-2H3.
What are the key properties of 1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane?
1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane has a molecular weight of 176.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane is sourced from PubChem (CID 77744083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).