1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane

C10H20F3O2P — CID 87127862

IUPAC1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane
SMILESCCCCP(=O)(CCCC)OCC(F)(F)F
InChIInChI=1S/C10H20F3O2P/c1-3-5-7-16(14,8-6-4-2)15-9-10(11,12)13/h3-9H2,1-2H3
InChIKeyGMGRLRGPFZOBKZ-UHFFFAOYSA-N
MW260.24 g/mol
LogP4.44
Rot. Bonds8

About 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane

1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane (PubChem CID 87127862) has the molecular formula C10H20F3O2P and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane.

Molecular Properties

Compound Name1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane
PubChem CID87127862
Molecular FormulaC10H20F3O2P
Molecular Weight260.24 g/mol
Exact Mass260.12
IUPAC Name1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane
SMILESCCCCP(=O)(CCCC)OCC(F)(F)F
InChIInChI=1S/C10H20F3O2P/c1-3-5-7-16(14,8-6-4-2)15-9-10(11,12)13/h3-9H2,1-2H3
InChIKeyGMGRLRGPFZOBKZ-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The IUPAC name of 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane (CID 87127862) is 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane.
What is the SMILES notation for 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The canonical SMILES for 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane is CCCCP(=O)(CCCC)OCC(F)(F)F.
What is the InChIKey of 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The InChIKey is GMGRLRGPFZOBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3O2P/c1-3-5-7-16(14,8-6-4-2)15-9-10(11,12)13/h3-9H2,1-2H3.
What are the key properties of 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane has a molecular weight of 260.24 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(2,2,2-trifluoroethoxy)phosphoryl]butane is sourced from PubChem (CID 87127862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).