(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane

C10H18FO3P — CID 101027985

IUPAC(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane
SMILESCCOP(=O)(/C=C1\CCCC1F)OCC
InChIInChI=1S/C10H18FO3P/c1-3-13-15(12,14-4-2)8-9-6-5-7-10(9)11/h8,10H,3-7H2,1-2H3/b9-8+
InChIKeyCOGROVNTKQFGRA-CMDGGOBGSA-N
MW236.22 g/mol
LogP3.66
Rot. Bonds5

About (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane

(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane (PubChem CID 101027985) has the molecular formula C10H18FO3P and a molecular weight of 236.22 g/mol. Its IUPAC name is (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane.

Molecular Properties

Compound Name(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane
PubChem CID101027985
Molecular FormulaC10H18FO3P
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane
SMILESCCOP(=O)(/C=C1\CCCC1F)OCC
InChIInChI=1S/C10H18FO3P/c1-3-13-15(12,14-4-2)8-9-6-5-7-10(9)11/h8,10H,3-7H2,1-2H3/b9-8+
InChIKeyCOGROVNTKQFGRA-CMDGGOBGSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
2-[Diethoxyphosphoryl(difluoro)methyl]hex-1-ene
CID 15418134
1-(Diethoxyphosphorylmethyl)-5-fluorocyclopentene
CID 101027988
(E)-1-diethoxyphosphoryl-2-(trifluoromethyl)but-1-ene
CID 101841956
(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene
CID 102089618
6-Diethoxyphosphoryl-6-fluorohex-1-ene
CID 102244411
(3-Diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane
CID 102254199
5-Diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane?
The IUPAC name of (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane (CID 101027985) is (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane.
What is the SMILES notation for (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane?
The canonical SMILES for (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane is CCOP(=O)(/C=C1\CCCC1F)OCC.
What is the InChIKey of (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane?
The InChIKey is COGROVNTKQFGRA-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18FO3P/c1-3-13-15(12,14-4-2)8-9-6-5-7-10(9)11/h8,10H,3-7H2,1-2H3/b9-8+.
What are the key properties of (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane?
(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane has a molecular weight of 236.22 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane is sourced from PubChem (CID 101027985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).