2-diethylphosphoryl-1,1,1-trifluoroethane

C6H12F3OP — CID 87128168

IUPAC2-diethylphosphoryl-1,1,1-trifluoroethane
SMILESCCP(=O)(CC)CC(F)(F)F
InChIInChI=1S/C6H12F3OP/c1-3-11(10,4-2)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyUKZBJJLWQPVBTC-UHFFFAOYSA-N
MW188.13 g/mol
LogP2.95
Rot. Bonds3

About 2-diethylphosphoryl-1,1,1-trifluoroethane

2-diethylphosphoryl-1,1,1-trifluoroethane (PubChem CID 87128168) has the molecular formula C6H12F3OP and a molecular weight of 188.13 g/mol. Its IUPAC name is 2-diethylphosphoryl-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-diethylphosphoryl-1,1,1-trifluoroethane
PubChem CID87128168
Molecular FormulaC6H12F3OP
Molecular Weight188.13 g/mol
Exact Mass188.06
IUPAC Name2-diethylphosphoryl-1,1,1-trifluoroethane
SMILESCCP(=O)(CC)CC(F)(F)F
InChIInChI=1S/C6H12F3OP/c1-3-11(10,4-2)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyUKZBJJLWQPVBTC-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane
CID 118247609
2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
CID 6421638
1,2-bis(diethylphosphoryl)ethane
CID 22892167
[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66729730
N-tert-butyl-1-diethylphosphoryl-2-methylpropan-2-amine oxide
CID 101488603
2-[bis(2,2,2-trifluoroethyl)phosphorylmethoxy]-1-chloropropane
CID 141250491
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane
CID 87155686
1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
CID 87128019
1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 87128078
1-[butyl(2,2,2-trifluoroethyl)phosphoryl]oxybutane
CID 87128383
ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509979

Frequently Asked Questions

What is the IUPAC name of 2-diethylphosphoryl-1,1,1-trifluoroethane?
The IUPAC name of 2-diethylphosphoryl-1,1,1-trifluoroethane (CID 87128168) is 2-diethylphosphoryl-1,1,1-trifluoroethane.
What is the SMILES notation for 2-diethylphosphoryl-1,1,1-trifluoroethane?
The canonical SMILES for 2-diethylphosphoryl-1,1,1-trifluoroethane is CCP(=O)(CC)CC(F)(F)F.
What is the InChIKey of 2-diethylphosphoryl-1,1,1-trifluoroethane?
The InChIKey is UKZBJJLWQPVBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3OP/c1-3-11(10,4-2)5-6(7,8)9/h3-5H2,1-2H3.
What are the key properties of 2-diethylphosphoryl-1,1,1-trifluoroethane?
2-diethylphosphoryl-1,1,1-trifluoroethane has a molecular weight of 188.13 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylphosphoryl-1,1,1-trifluoroethane is sourced from PubChem (CID 87128168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).