1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene

C10H18FO3P — CID 101027988

IUPAC1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene
SMILESCCOP(=O)(CC1=CCCC1F)OCC
InChIInChI=1S/C10H18FO3P/c1-3-13-15(12,14-4-2)8-9-6-5-7-10(9)11/h6,10H,3-5,7-8H2,1-2H3
InChIKeySJCLFPVMNDJIOC-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.31
Rot. Bonds6

About 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene

1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene (PubChem CID 101027988) has the molecular formula C10H18FO3P and a molecular weight of 236.22 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene
PubChem CID101027988
Molecular FormulaC10H18FO3P
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene
SMILESCCOP(=O)(CC1=CCCC1F)OCC
InChIInChI=1S/C10H18FO3P/c1-3-13-15(12,14-4-2)8-9-6-5-7-10(9)11/h6,10H,3-5,7-8H2,1-2H3
InChIKeySJCLFPVMNDJIOC-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.31
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

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
Diethoxyphosphorylcyclopentene
CID 10774533
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879
(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene
CID 101149178
CID 58971978
CID 58971978
CID 89333315
CID 89333315
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
CID 13165582

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene?
The IUPAC name of 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene (CID 101027988) is 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene.
What is the SMILES notation for 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene?
The canonical SMILES for 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene is CCOP(=O)(CC1=CCCC1F)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene?
The InChIKey is SJCLFPVMNDJIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FO3P/c1-3-13-15(12,14-4-2)8-9-6-5-7-10(9)11/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene?
1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene has a molecular weight of 236.22 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethyl)-5-fluorocyclopentene is sourced from PubChem (CID 101027988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).