3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene

C10H17F2O3P — CID 162536390

IUPAC3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene
SMILESCCOP(=O)(OCC)C1C=C(C(F)F)CC1
InChIInChI=1S/C10H17F2O3P/c1-3-14-16(13,15-4-2)9-6-5-8(7-9)10(11)12/h7,9-10H,3-6H2,1-2H3
InChIKeyFBDOJWQQWSZEHL-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.61
Rot. Bonds6

About 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene

3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene (PubChem CID 162536390) has the molecular formula C10H17F2O3P and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene
PubChem CID162536390
Molecular FormulaC10H17F2O3P
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene
SMILESCCOP(=O)(OCC)C1C=C(C(F)F)CC1
InChIInChI=1S/C10H17F2O3P/c1-3-14-16(13,15-4-2)9-6-5-8(7-9)10(11)12/h7,9-10H,3-6H2,1-2H3
InChIKeyFBDOJWQQWSZEHL-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene?
The IUPAC name of 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene (CID 162536390) is 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene.
What is the SMILES notation for 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene?
The canonical SMILES for 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene is CCOP(=O)(OCC)C1C=C(C(F)F)CC1.
What is the InChIKey of 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene?
The InChIKey is FBDOJWQQWSZEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2O3P/c1-3-14-16(13,15-4-2)9-6-5-8(7-9)10(11)12/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene?
3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene has a molecular weight of 254.21 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1-(difluoromethyl)cyclopentene is sourced from PubChem (CID 162536390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).