1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane

C6H9F6O3P — CID 12614993

IUPAC1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane
SMILESCOP(OC)(OC)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-13-16(14-2,15-3)4(5(7,8)9)6(10,11)12/h1-3H3
InChIKeyQOGFNGWVAPXJOM-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.99
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane

1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane (PubChem CID 12614993) has the molecular formula C6H9F6O3P and a molecular weight of 274.10 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane
PubChem CID12614993
Molecular FormulaC6H9F6O3P
Molecular Weight274.10 g/mol
Exact Mass274.02
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane
SMILESCOP(OC)(OC)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-13-16(14-2,15-3)4(5(7,8)9)6(10,11)12/h1-3H3
InChIKeyQOGFNGWVAPXJOM-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.99
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

Hexafluoroisopropylidenethoxydimethoxyphosphorane
CID 13115973
Dimethoxy(1,1,2,2,2-pentafluoroethyl)phosphane
CID 12512961
Fluoro-trimethoxy-(1,2,2-trifluoroethenyl)-lambda5-phosphane
CID 22964141
1-Dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 87432151
fluoro-trimethoxy-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-lambda5-phosphane
CID 140433073
Trimethoxy(3,3,3-trifluoropropyl)phosphanium
CID 152392302
Trimethoxy(trifluoromethyl)phosphanium
CID 159900097

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane (CID 12614993) is 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane is COP(OC)(OC)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane?
The InChIKey is QOGFNGWVAPXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6O3P/c1-13-16(14-2,15-3)4(5(7,8)9)6(10,11)12/h1-3H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane?
1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane has a molecular weight of 274.10 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-ylidene(trimethoxy)-λ5-phosphane is sourced from PubChem (CID 12614993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).