3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene

C10H17F2O3P — CID 162536372

IUPAC3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene
SMILESCCOP(=O)(OCC)C(F)(F)C1C=CCC1
InChIInChI=1S/C10H17F2O3P/c1-3-14-16(13,15-4-2)10(11,12)9-7-5-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyDPKVTLWEOOLVMC-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.81
Rot. Bonds6

About 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene

3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene (PubChem CID 162536372) has the molecular formula C10H17F2O3P and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene.

Molecular Properties

Compound Name3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene
PubChem CID162536372
Molecular FormulaC10H17F2O3P
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene
SMILESCCOP(=O)(OCC)C(F)(F)C1C=CCC1
InChIInChI=1S/C10H17F2O3P/c1-3-14-16(13,15-4-2)10(11,12)9-7-5-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyDPKVTLWEOOLVMC-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene?
The IUPAC name of 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene (CID 162536372) is 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene.
What is the SMILES notation for 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene?
The canonical SMILES for 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene is CCOP(=O)(OCC)C(F)(F)C1C=CCC1.
What is the InChIKey of 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene?
The InChIKey is DPKVTLWEOOLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2O3P/c1-3-14-16(13,15-4-2)10(11,12)9-7-5-6-8-9/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene?
3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene has a molecular weight of 254.21 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxyphosphoryl(difluoro)methyl]cyclopentene is sourced from PubChem (CID 162536372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).