2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane

C10H14F9O3P — CID 58320049

IUPAC2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane
SMILESCC(OP(=O)(OC(C(F)(F)F)C(F)(F)F)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H14F9O3P/c1-5(8(11,12)13)21-23(20,7(2,3)4)22-6(9(14,15)16)10(17,18)19/h5-6H,1-4H3
InChIKeySKYIBDPZFNNXHL-UHFFFAOYSA-N
MW384.18 g/mol
LogP5.46
Rot. Bonds4

About 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane

2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane (PubChem CID 58320049) has the molecular formula C10H14F9O3P and a molecular weight of 384.18 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane
PubChem CID58320049
Molecular FormulaC10H14F9O3P
Molecular Weight384.18 g/mol
Exact Mass384.05
IUPAC Name2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane
SMILESCC(OP(=O)(OC(C(F)(F)F)C(F)(F)F)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H14F9O3P/c1-5(8(11,12)13)21-23(20,7(2,3)4)22-6(9(14,15)16)10(17,18)19/h5-6H,1-4H3
InChIKeySKYIBDPZFNNXHL-UHFFFAOYSA-N
XLogP5.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.18
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane (CID 58320049) is 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane is CC(OP(=O)(OC(C(F)(F)F)C(F)(F)F)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane?
The InChIKey is SKYIBDPZFNNXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F9O3P/c1-5(8(11,12)13)21-23(20,7(2,3)4)22-6(9(14,15)16)10(17,18)19/h5-6H,1-4H3.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane?
2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane has a molecular weight of 384.18 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane is sourced from PubChem (CID 58320049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).