1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene

C12H17F2O4P — CID 15272442

IUPAC1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc(OC)cc1
InChIInChI=1S/C12H17F2O4P/c1-4-17-19(15,18-5-2)12(13,14)10-6-8-11(16-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeySHWYLEPDTXDJMF-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.01
Rot. Bonds7

About 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene

1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene (PubChem CID 15272442) has the molecular formula C12H17F2O4P and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
PubChem CID15272442
Molecular FormulaC12H17F2O4P
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc(OC)cc1
InChIInChI=1S/C12H17F2O4P/c1-4-17-19(15,18-5-2)12(13,14)10-6-8-11(16-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeySHWYLEPDTXDJMF-UHFFFAOYSA-N
XLogP4.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[diethoxyphosphoryl(difluoro)methyl]aniline;hydrochloride
CID 21088749
(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine
CID 177387905
(3R)-3-diethoxyphosphoryl-3-hydroxy-3-(4-methoxyphenyl)propanal
CID 135069234
(E)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]but-2-enoate
CID 152758125
1-[ethoxy(difluoro)methyl]-4-methoxybenzene
CID 102488284
tert-butyl 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-enoate
CID 74007963
N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide
CID 86605697
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
CID 15260930
N,N-bis[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]-2-phenylethanesulfonamide
CID 86605689
1-(1,1-diethoxypropyl)-4-methoxybenzene
CID 56637922

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene?
The IUPAC name of 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene (CID 15272442) is 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene is CCOP(=O)(OCC)C(F)(F)c1ccc(OC)cc1.
What is the InChIKey of 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene?
The InChIKey is SHWYLEPDTXDJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2O4P/c1-4-17-19(15,18-5-2)12(13,14)10-6-8-11(16-3)9-7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene?
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene has a molecular weight of 294.23 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene is sourced from PubChem (CID 15272442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).