dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane

C8H11Cl2F6O3P — CID 166520984

IUPACdichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane
SMILESFC(F)(F)COCC(COCC(F)(F)F)COP(Cl)Cl
InChIInChI=1S/C8H11Cl2F6O3P/c9-20(10)19-3-6(1-17-4-7(11,12)13)2-18-5-8(14,15)16/h6H,1-5H2
InChIKeyUTNBWAMETTYOMI-UHFFFAOYSA-N
MW371.04 g/mol
LogP4.48
Rot. Bonds9

About dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane

dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane (PubChem CID 166520984) has the molecular formula C8H11Cl2F6O3P and a molecular weight of 371.04 g/mol. Its IUPAC name is dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane.

Molecular Properties

Compound Namedichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane
PubChem CID166520984
Molecular FormulaC8H11Cl2F6O3P
Molecular Weight371.04 g/mol
Exact Mass369.97
IUPAC Namedichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane
SMILESFC(F)(F)COCC(COCC(F)(F)F)COP(Cl)Cl
InChIInChI=1S/C8H11Cl2F6O3P/c9-20(10)19-3-6(1-17-4-7(11,12)13)2-18-5-8(14,15)16/h6H,1-5H2
InChIKeyUTNBWAMETTYOMI-UHFFFAOYSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.04
LogP ≤ 54.48
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

4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705854
2-(2,2,2-trifluoroethoxymethyl)butane-1,4-diol
CID 146489799
1-chloro-3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane
CID 106706535
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine
CID 106705900
2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
CID 65013118
3-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-ol
CID 106706485
1-chloro-2-(chloromethyl)-5-(2,2,2-trifluoroethoxy)pentane
CID 79447837
1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
CID 103210534
2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268
2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64802406

Frequently Asked Questions

What is the IUPAC name of dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane?
The IUPAC name of dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane (CID 166520984) is dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane.
What is the SMILES notation for dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane?
The canonical SMILES for dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane is FC(F)(F)COCC(COCC(F)(F)F)COP(Cl)Cl.
What is the InChIKey of dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane?
The InChIKey is UTNBWAMETTYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2F6O3P/c9-20(10)19-3-6(1-17-4-7(11,12)13)2-18-5-8(14,15)16/h6H,1-5H2.
What are the key properties of dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane?
dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane has a molecular weight of 371.04 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane is sourced from PubChem (CID 166520984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).