2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane

C7H11F6O3P — CID 13115974

IUPAC2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane
SMILESCCC(C(F)(F)F)(C(F)(F)F)P(=O)(OC)OC
InChIInChI=1S/C7H11F6O3P/c1-4-5(6(8,9)10,7(11,12)13)17(14,15-2)16-3/h4H2,1-3H3
InChIKeyJBVZEWLTAZLAOL-UHFFFAOYSA-N
MW288.12 g/mol
LogP3.75
Rot. Bonds4

About 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane

2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane (PubChem CID 13115974) has the molecular formula C7H11F6O3P and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane
PubChem CID13115974
Molecular FormulaC7H11F6O3P
Molecular Weight288.12 g/mol
Exact Mass288.04
IUPAC Name2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane
SMILESCCC(C(F)(F)F)(C(F)(F)F)P(=O)(OC)OC
InChIInChI=1S/C7H11F6O3P/c1-4-5(6(8,9)10,7(11,12)13)17(14,15-2)16-3/h4H2,1-3H3
InChIKeyJBVZEWLTAZLAOL-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 53.75
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-Dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
CID 172877504
1,1,2,2-Tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
CID 12571361
2-Diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane
CID 12731016
Diethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]phosphonate
CID 12757472
Dimethyl (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phosphonate
CID 12757477
1-Dimethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 21731022
Diethyl (1,1,2,3,3,3-hexafluoropropyl)phosphonate
CID 23236390
2-Diethoxyphosphoryl-1,1,1,2,3,3-hexafluoropropane
CID 23236391
Xpizpzrrdikdss-uhfffaoysa-
CID 23271363
Dimethyl (1,1,2,3,3,3-hexafluoropropyl)phosphonate
CID 155293685
2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
1-Dimethoxyphosphoryl-1,1-difluoroethane
CID 58661688

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane?
The IUPAC name of 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane (CID 13115974) is 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane.
What is the SMILES notation for 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane?
The canonical SMILES for 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane is CCC(C(F)(F)F)(C(F)(F)F)P(=O)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane?
The InChIKey is JBVZEWLTAZLAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6O3P/c1-4-5(6(8,9)10,7(11,12)13)17(14,15-2)16-3/h4H2,1-3H3.
What are the key properties of 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane?
2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane has a molecular weight of 288.12 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane is sourced from PubChem (CID 13115974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).