1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane

C5H7F6OP — CID 12501807

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane
SMILESCP(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6OP/c1-13(2)12-3(4(6,7)8)5(9,10)11/h3H,1-2H3
InChIKeyPMSPGGUJIRFBBH-UHFFFAOYSA-N
MW228.07 g/mol
LogP3.15
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane

1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane (PubChem CID 12501807) has the molecular formula C5H7F6OP and a molecular weight of 228.07 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane
PubChem CID12501807
Molecular FormulaC5H7F6OP
Molecular Weight228.07 g/mol
Exact Mass228.01
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane
SMILESCP(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6OP/c1-13(2)12-3(4(6,7)8)5(9,10)11/h3H,1-2H3
InChIKeyPMSPGGUJIRFBBH-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane (CID 12501807) is 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane is CP(C)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane?
The InChIKey is PMSPGGUJIRFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6OP/c1-13(2)12-3(4(6,7)8)5(9,10)11/h3H,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane?
1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane has a molecular weight of 228.07 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane is sourced from PubChem (CID 12501807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).