[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene

C12H16F3O2P — CID 66796378

IUPAC[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
SMILESCCCCP(=O)(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16F3O2P/c1-2-3-9-18(16,17-10-12(13,14)15)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKeyJABIRCLHDUWISW-UHFFFAOYSA-N
MW280.23 g/mol
LogP3.97
Rot. Bonds6

About [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene

[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene (PubChem CID 66796378) has the molecular formula C12H16F3O2P and a molecular weight of 280.23 g/mol. Its IUPAC name is [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene.

Molecular Properties

Compound Name[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
PubChem CID66796378
Molecular FormulaC12H16F3O2P
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
SMILESCCCCP(=O)(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16F3O2P/c1-2-3-9-18(16,17-10-12(13,14)15)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKeyJABIRCLHDUWISW-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 118440971
[butoxy(fluoro)phosphoryl]benzene
CID 23235617
1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 87128078
[2-ethylhexoxy(tetradecyl)phosphoryl]benzene
CID 70125181
butyl(phenyl)phosphinate
CID 51386598
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
butyl-(2,2,2-trifluoro-1-phenylethoxy)phosphinate
CID 154047216
dipropoxyphosphorylbenzene
CID 11736632
3-[ethoxy(phenyl)phosphoryl]propanamide
CID 132529059
1-[butyl(methoxy)phosphoryl]-3-methylbenzene
CID 23081756

Frequently Asked Questions

What is the IUPAC name of [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene?
The IUPAC name of [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene (CID 66796378) is [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene.
What is the SMILES notation for [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene?
The canonical SMILES for [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene is CCCCP(=O)(OCC(F)(F)F)c1ccccc1.
What is the InChIKey of [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene?
The InChIKey is JABIRCLHDUWISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3O2P/c1-2-3-9-18(16,17-10-12(13,14)15)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3.
What are the key properties of [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene?
[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene has a molecular weight of 280.23 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene is sourced from PubChem (CID 66796378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).