1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane

C9H13F6O3P — CID 87625651

IUPAC1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane
SMILESC=CCP(=O)(OC(C)C(F)(F)F)OC(C)C(F)(F)F
InChIInChI=1S/C9H13F6O3P/c1-4-5-19(16,17-6(2)8(10,11)12)18-7(3)9(13,14)15/h4,6-7H,1,5H2,2-3H3
InChIKeyYEVFYAZHANUGMN-UHFFFAOYSA-N
MW314.16 g/mol
LogP4.30
Rot. Bonds6

About 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane

1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane (PubChem CID 87625651) has the molecular formula C9H13F6O3P and a molecular weight of 314.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane
PubChem CID87625651
Molecular FormulaC9H13F6O3P
Molecular Weight314.16 g/mol
Exact Mass314.05
IUPAC Name1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane
SMILESC=CCP(=O)(OC(C)C(F)(F)F)OC(C)C(F)(F)F
InChIInChI=1S/C9H13F6O3P/c1-4-5-19(16,17-6(2)8(10,11)12)18-7(3)9(13,14)15/h4,6-7H,1,5H2,2-3H3
InChIKeyYEVFYAZHANUGMN-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane (CID 87625651) is 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane is C=CCP(=O)(OC(C)C(F)(F)F)OC(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is YEVFYAZHANUGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6O3P/c1-4-5-19(16,17-6(2)8(10,11)12)18-7(3)9(13,14)15/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane?
1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 314.16 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 87625651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).