(3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane

C12H20F3O3P — CID 10108803

IUPAC(3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
SMILESCCOP(=O)(CC(=C1CCCC1)C(F)(F)F)OCC
InChIInChI=1S/C12H20F3O3P/c1-3-17-19(16,18-4-2)9-11(12(13,14)15)10-7-5-6-8-10/h3-9H2,1-2H3
InChIKeyIHTGGNFJFCKGPL-UHFFFAOYSA-N
MW300.26 g/mol
LogP4.69
Rot. Bonds6

About (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane

(3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane (PubChem CID 10108803) has the molecular formula C12H20F3O3P and a molecular weight of 300.26 g/mol. Its IUPAC name is (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane.

Molecular Properties

Compound Name(3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
PubChem CID10108803
Molecular FormulaC12H20F3O3P
Molecular Weight300.26 g/mol
Exact Mass300.11
IUPAC Name(3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
SMILESCCOP(=O)(CC(=C1CCCC1)C(F)(F)F)OCC
InChIInChI=1S/C12H20F3O3P/c1-3-17-19(16,18-4-2)9-11(12(13,14)15)10-7-5-6-8-10/h3-9H2,1-2H3
InChIKeyIHTGGNFJFCKGPL-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 54.69
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

1-Butyl-2-diethoxyphosphoryl-3,3,4,4,5,5-hexafluorocyclopentene
CID 276076
[3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane
CID 10404207
(E)-2-[di(propan-2-yloxy)phosphorylmethyl]-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921763
(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
(Z)-2-[di(propan-2-yloxy)phosphorylmethyl]-1,1,1-trifluoro-3-methylhex-2-ene
CID 9996716
(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 10470157
1-[Diethoxyphosphoryl(difluoro)methyl]cyclopentene
CID 15418135
6-Diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene
CID 23236893
(3-Dipropoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 101921765
(3-Diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane
CID 102254199
3-Diethoxyphosphoryl-1-(difluoromethyl)cyclopentene
CID 162536390

Frequently Asked Questions

What is the IUPAC name of (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane?
The IUPAC name of (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane (CID 10108803) is (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane.
What is the SMILES notation for (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane?
The canonical SMILES for (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane is CCOP(=O)(CC(=C1CCCC1)C(F)(F)F)OCC.
What is the InChIKey of (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane?
The InChIKey is IHTGGNFJFCKGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3O3P/c1-3-17-19(16,18-4-2)9-11(12(13,14)15)10-7-5-6-8-10/h3-9H2,1-2H3.
What are the key properties of (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane?
(3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane has a molecular weight of 300.26 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane is sourced from PubChem (CID 10108803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).