1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane

C5H8F5OP — CID 87128019

IUPAC1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
SMILESCCP(C)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5OP/c1-3-12(2,11)5(9,10)4(6,7)8/h3H2,1-2H3
InChIKeyQTLLNBOPBOJFAU-UHFFFAOYSA-N
MW210.08 g/mol
LogP3.15
Rot. Bonds2

About 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane

1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane (PubChem CID 87128019) has the molecular formula C5H8F5OP and a molecular weight of 210.08 g/mol. Its IUPAC name is 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
PubChem CID87128019
Molecular FormulaC5H8F5OP
Molecular Weight210.08 g/mol
Exact Mass210.02
IUPAC Name1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
SMILESCCP(C)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5OP/c1-3-12(2,11)5(9,10)4(6,7)8/h3H2,1-2H3
InChIKeyQTLLNBOPBOJFAU-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane (CID 87128019) is 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane is CCP(C)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane?
The InChIKey is QTLLNBOPBOJFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5OP/c1-3-12(2,11)5(9,10)4(6,7)8/h3H2,1-2H3.
What are the key properties of 1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane?
1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane has a molecular weight of 210.08 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-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 87128019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).