2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane

C6H9F6OP — CID 118247609

IUPAC2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane
SMILESCCP(=O)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C6H9F6OP/c1-2-14(13,3-5(7,8)9)4-6(10,11)12/h2-4H2,1H3
InChIKeyNEZMLJDFPLHZKR-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.49
Rot. Bonds3

About 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane

2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane (PubChem CID 118247609) has the molecular formula C6H9F6OP and a molecular weight of 242.10 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane
PubChem CID118247609
Molecular FormulaC6H9F6OP
Molecular Weight242.10 g/mol
Exact Mass242.03
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane
SMILESCCP(=O)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C6H9F6OP/c1-2-14(13,3-5(7,8)9)4-6(10,11)12/h2-4H2,1H3
InChIKeyNEZMLJDFPLHZKR-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.49
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-diethylphosphoryl-1,1,1-trifluoroethane
CID 87128168
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
2-[bis(2,2,2-trifluoroethyl)phosphorylmethoxy]-1-chloropropane
CID 141250491
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
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
methanamine;1,1,1-trifluoropropane;hydrochloride
CID 175403135
N-tert-butyl-1-diethylphosphoryl-2-methylpropan-2-amine oxide
CID 101488603

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane (CID 118247609) is 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane is CCP(=O)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane?
The InChIKey is NEZMLJDFPLHZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6OP/c1-2-14(13,3-5(7,8)9)4-6(10,11)12/h2-4H2,1H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane?
2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane has a molecular weight of 242.10 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane is sourced from PubChem (CID 118247609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).