[dimethylphosphoryl(difluoro)methyl]benzene;propane

C12H19F2OP — CID 90959775

IUPAC[dimethylphosphoryl(difluoro)methyl]benzene;propane
SMILESCCC.CP(C)(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H11F2OP.C3H8/c1-13(2,12)9(10,11)8-6-4-3-5-7-8;1-3-2/h3-7H,1-2H3;3H2,1-2H3
InChIKeyNQYFFISQGJWFFA-UHFFFAOYSA-N
MW248.25 g/mol
LogP4.77
Rot. Bonds2

About [dimethylphosphoryl(difluoro)methyl]benzene;propane

[dimethylphosphoryl(difluoro)methyl]benzene;propane (PubChem CID 90959775) has the molecular formula C12H19F2OP and a molecular weight of 248.25 g/mol. Its IUPAC name is [dimethylphosphoryl(difluoro)methyl]benzene;propane.

Molecular Properties

Compound Name[dimethylphosphoryl(difluoro)methyl]benzene;propane
PubChem CID90959775
Molecular FormulaC12H19F2OP
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[dimethylphosphoryl(difluoro)methyl]benzene;propane
SMILESCCC.CP(C)(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H11F2OP.C3H8/c1-13(2,12)9(10,11)8-6-4-3-5-7-8;1-3-2/h3-7H,1-2H3;3H2,1-2H3
InChIKeyNQYFFISQGJWFFA-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 54.77
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-diethoxyphosphoryl-2-fluoro-2-phenylacetonitrile
CID 15446190
1,1,2-trifluoro-1-phenylbutan-2-amine
CID 71076868
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
CID 129322211
[3,3-bis(diethoxyphosphoryl)-1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]benzene
CID 174954785
bis(1-phenylpropane-1,1-diol);phosphoric acid
CID 175284612
2-fluoro-3-hydroxy-2-phenylpentanoic acid
CID 19860351
ethane;bis(trifluoromethylbenzene)
CID 142912000
1,1-difluoroethylbenzene
CID 10942535
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
4-[diethoxyphosphoryl(difluoro)methyl]aniline;hydrochloride
CID 21088749
2-hydroperoxybutan-2-ylbenzene
CID 15510207

Frequently Asked Questions

What is the IUPAC name of [dimethylphosphoryl(difluoro)methyl]benzene;propane?
The IUPAC name of [dimethylphosphoryl(difluoro)methyl]benzene;propane (CID 90959775) is [dimethylphosphoryl(difluoro)methyl]benzene;propane.
What is the SMILES notation for [dimethylphosphoryl(difluoro)methyl]benzene;propane?
The canonical SMILES for [dimethylphosphoryl(difluoro)methyl]benzene;propane is CCC.CP(C)(=O)C(F)(F)c1ccccc1.
What is the InChIKey of [dimethylphosphoryl(difluoro)methyl]benzene;propane?
The InChIKey is NQYFFISQGJWFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2OP.C3H8/c1-13(2,12)9(10,11)8-6-4-3-5-7-8;1-3-2/h3-7H,1-2H3;3H2,1-2H3.
What are the key properties of [dimethylphosphoryl(difluoro)methyl]benzene;propane?
[dimethylphosphoryl(difluoro)methyl]benzene;propane has a molecular weight of 248.25 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylphosphoryl(difluoro)methyl]benzene;propane is sourced from PubChem (CID 90959775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).