bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone

C19H20F4O7P2 — CID 10601384

IUPACbis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone
SMILESCOP(=O)(OC)C(F)(F)c1ccc(C(=O)c2ccc(C(F)(F)P(=O)(OC)OC)cc2)cc1
InChIInChI=1S/C19H20F4O7P2/c1-27-31(25,28-2)18(20,21)15-9-5-13(6-10-15)17(24)14-7-11-16(12-8-14)19(22,23)32(26,29-3)30-4/h5-12H,1-4H3
InChIKeyRVIPVTCCPSBIPK-UHFFFAOYSA-N
MW498.30 g/mol
LogP5.99
Rot. Bonds10

About bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone

bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone (PubChem CID 10601384) has the molecular formula C19H20F4O7P2 and a molecular weight of 498.30 g/mol. Its IUPAC name is bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone
PubChem CID10601384
Molecular FormulaC19H20F4O7P2
Molecular Weight498.30 g/mol
Exact Mass498.06
IUPAC Namebis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone
SMILESCOP(=O)(OC)C(F)(F)c1ccc(C(=O)c2ccc(C(F)(F)P(=O)(OC)OC)cc2)cc1
InChIInChI=1S/C19H20F4O7P2/c1-27-31(25,28-2)18(20,21)15-9-5-13(6-10-15)17(24)14-7-11-16(12-8-14)19(22,23)32(26,29-3)30-4/h5-12H,1-4H3
InChIKeyRVIPVTCCPSBIPK-UHFFFAOYSA-N
XLogP5.99
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.30
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[difluoro(phosphono)methyl]benzoic acid
CID 46878697
CID 161391832
CID 161391832
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
CID 102046247
(E)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]but-2-enoate
CID 152758125
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
[4-(4-methoxybenzoyl)phenyl] 4-(trifluoromethyl)benzoate
CID 101231372
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate
CID 5153617
1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone
CID 174419072

Frequently Asked Questions

What is the IUPAC name of bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone?
The IUPAC name of bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone (CID 10601384) is bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone.
What is the SMILES notation for bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone?
The canonical SMILES for bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone is COP(=O)(OC)C(F)(F)c1ccc(C(=O)c2ccc(C(F)(F)P(=O)(OC)OC)cc2)cc1.
What is the InChIKey of bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone?
The InChIKey is RVIPVTCCPSBIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4O7P2/c1-27-31(25,28-2)18(20,21)15-9-5-13(6-10-15)17(24)14-7-11-16(12-8-14)19(22,23)32(26,29-3)30-4/h5-12H,1-4H3.
What are the key properties of bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone?
bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone has a molecular weight of 498.30 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone is sourced from PubChem (CID 10601384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).