1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene

C10H17F2O3P — CID 15418135

IUPAC1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene
SMILESCCOP(=O)(OCC)C(F)(F)C1=CCCC1
InChIInChI=1S/C10H17F2O3P/c1-3-14-16(13,15-4-2)10(11,12)9-7-5-6-8-9/h7H,3-6,8H2,1-2H3
InChIKeyPCGOUOGKZQHLAK-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.96
Rot. Bonds6

About 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene

1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene (PubChem CID 15418135) has the molecular formula C10H17F2O3P and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene.

Molecular Properties

Compound Name1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene
PubChem CID15418135
Molecular FormulaC10H17F2O3P
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene
SMILESCCOP(=O)(OCC)C(F)(F)C1=CCCC1
InChIInChI=1S/C10H17F2O3P/c1-3-14-16(13,15-4-2)10(11,12)9-7-5-6-8-9/h7H,3-6,8H2,1-2H3
InChIKeyPCGOUOGKZQHLAK-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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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Related Compounds

((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(4E)-5-[diethoxyphosphoryl(difluoro)methyl]-6,6,6-trifluoro-4-(trifluoromethyl)hexa-1,4-diene
CID 11003655
1-Butyl-2-diethoxyphosphoryl-3,3,4,4,5,5-hexafluorocyclopentene
CID 276076
(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
(3-Diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 10108803
(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 15786804
(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
Ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane
CID 171093017
Diethoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane
CID 171093068
(E)-1-diethoxyphosphoryl-2-methyloct-2-ene
CID 134895038
(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 10470157
(E)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 11090556

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene?
The IUPAC name of 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene (CID 15418135) is 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene.
What is the SMILES notation for 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene?
The canonical SMILES for 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene is CCOP(=O)(OCC)C(F)(F)C1=CCCC1.
What is the InChIKey of 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene?
The InChIKey is PCGOUOGKZQHLAK-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/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene?
1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene has a molecular weight of 254.21 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl(difluoro)methyl]cyclopentene is sourced from PubChem (CID 15418135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).