(2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane

C12H18F3O3P — CID 102260719

IUPAC(2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
SMILESCCOP(=O)(OCC)C(=C=C1CCCC1)C(F)(F)F
InChIInChI=1S/C12H18F3O3P/c1-3-17-19(16,18-4-2)11(12(13,14)15)9-10-7-5-6-8-10/h3-8H2,1-2H3
InChIKeyPFLINDDUGDKTGO-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.80
Rot. Bonds5

About (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane

(2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane (PubChem CID 102260719) has the molecular formula C12H18F3O3P and a molecular weight of 298.24 g/mol. Its IUPAC name is (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane.

Molecular Properties

Compound Name(2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
PubChem CID102260719
Molecular FormulaC12H18F3O3P
Molecular Weight298.24 g/mol
Exact Mass298.09
IUPAC Name(2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
SMILESCCOP(=O)(OCC)C(=C=C1CCCC1)C(F)(F)F
InChIInChI=1S/C12H18F3O3P/c1-3-17-19(16,18-4-2)11(12(13,14)15)9-10-7-5-6-8-10/h3-8H2,1-2H3
InChIKeyPFLINDDUGDKTGO-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.80
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

(3-Diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 10108803
[3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane
CID 10404207
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 10470157
(3-Cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid
CID 11975165
2-[Diethoxyphosphoryl(difluoro)methyl]but-1-ene
CID 15418132
2-[Diethoxyphosphoryl(difluoro)methyl]hex-1-ene
CID 15418134
(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane
CID 101027985
(3-Dipropoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 101921765
(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene
CID 102089618
1-Diethoxyphosphoryl-4-ethyl-1,1-difluorohexa-2,3-diene
CID 102254198

Frequently Asked Questions

What is the IUPAC name of (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane?
The IUPAC name of (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane (CID 102260719) is (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane.
What is the SMILES notation for (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane?
The canonical SMILES for (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane is CCOP(=O)(OCC)C(=C=C1CCCC1)C(F)(F)F.
What is the InChIKey of (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane?
The InChIKey is PFLINDDUGDKTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3O3P/c1-3-17-19(16,18-4-2)11(12(13,14)15)9-10-7-5-6-8-10/h3-8H2,1-2H3.
What are the key properties of (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane?
(2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane has a molecular weight of 298.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane is sourced from PubChem (CID 102260719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).