2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane

C9H18F3O3P — CID 13141507

IUPAC2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane
SMILESCC(C)COP(=O)(OCC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3O3P/c1-7(2)5-14-16(13,9(10,11)12)15-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyKNOPWWMWJLTTCO-UHFFFAOYSA-N
MW262.21 g/mol
LogP4.04
Rot. Bonds6

About 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane

2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane (PubChem CID 13141507) has the molecular formula C9H18F3O3P and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane
PubChem CID13141507
Molecular FormulaC9H18F3O3P
Molecular Weight262.21 g/mol
Exact Mass262.09
IUPAC Name2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane
SMILESCC(C)COP(=O)(OCC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3O3P/c1-7(2)5-14-16(13,9(10,11)12)15-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyKNOPWWMWJLTTCO-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 54.04
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

Diisobutyl methylphosphonate
CID 566101
1-[Butoxy(trifluoromethyl)phosphoryl]oxybutane
CID 15750796
1,1-Difluorohexylphosphonic acid diethyl ester
CID 10445215
Bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane
CID 13179225
1-Diethoxyphosphoryl-1,1-difluoropropane
CID 10013537
1-[Propoxy(trifluoromethyl)phosphoryl]oxypropane
CID 102450606
o-Isobutyl ethyl(heptafluoropropyl)phosphinate
CID 6420673
o-Isobutyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6424811
Bis(2-methylpropoxy)-(trifluoromethyl)phosphane
CID 12512960
1,1,2,2,3,3,3-Heptafluoropropyl-bis(2-methylpropoxy)phosphane
CID 12512965
Diethyl (nonafluorobutyl)phosphonate
CID 12731015
Diethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]phosphonate
CID 12757472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane?
The IUPAC name of 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane (CID 13141507) is 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane?
The canonical SMILES for 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane is CC(C)COP(=O)(OCC(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane?
The InChIKey is KNOPWWMWJLTTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3O3P/c1-7(2)5-14-16(13,9(10,11)12)15-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane?
2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane has a molecular weight of 262.21 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methylpropoxy(trifluoromethyl)phosphoryl]oxypropane is sourced from PubChem (CID 13141507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).