1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane

C7H14F3O2P — CID 87155686

IUPAC1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane
SMILESCCCCP(=O)(CC(F)(F)F)OC
InChIInChI=1S/C7H14F3O2P/c1-3-4-5-13(11,12-2)6-7(8,9)10/h3-6H2,1-2H3
InChIKeyJUJHHOGEJHRDEL-UHFFFAOYSA-N
MW218.15 g/mol
LogP3.27
Rot. Bonds5

About 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane

1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane (PubChem CID 87155686) has the molecular formula C7H14F3O2P and a molecular weight of 218.15 g/mol. Its IUPAC name is 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane.

Molecular Properties

Compound Name1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane
PubChem CID87155686
Molecular FormulaC7H14F3O2P
Molecular Weight218.15 g/mol
Exact Mass218.07
IUPAC Name1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane
SMILESCCCCP(=O)(CC(F)(F)F)OC
InChIInChI=1S/C7H14F3O2P/c1-3-4-5-13(11,12-2)6-7(8,9)10/h3-6H2,1-2H3
InChIKeyJUJHHOGEJHRDEL-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[butyl(2,2,2-trifluoroethyl)phosphoryl]oxybutane
CID 87128383
1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 87128078
2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
CID 6421638
hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 88693701
dibutyl 2,2,2-trifluoroethyl phosphate
CID 6424864
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258
[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
CID 66796378
4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine
CID 71531135
2-diethylphosphoryl-1,1,1-trifluoroethane
CID 87128168
2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane
CID 118247609
1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]butane
CID 140980229
3-[methoxy(pentyl)phosphoryl]propylbenzene
CID 11173209

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane?
The IUPAC name of 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane (CID 87155686) is 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane.
What is the SMILES notation for 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane?
The canonical SMILES for 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane is CCCCP(=O)(CC(F)(F)F)OC.
What is the InChIKey of 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane?
The InChIKey is JUJHHOGEJHRDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3O2P/c1-3-4-5-13(11,12-2)6-7(8,9)10/h3-6H2,1-2H3.
What are the key properties of 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane?
1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane has a molecular weight of 218.15 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane is sourced from PubChem (CID 87155686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).