3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol

C14H19F2O4P — CID 91554178

IUPAC3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc(C=CCO)cc1
InChIInChI=1S/C14H19F2O4P/c1-3-19-21(18,20-4-2)14(15,16)13-9-7-12(8-10-13)6-5-11-17/h5-10,17H,3-4,11H2,1-2H3
InChIKeyHPHYQFOQJKWOEF-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.01
Rot. Bonds8

About 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol

3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol (PubChem CID 91554178) has the molecular formula C14H19F2O4P and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol
PubChem CID91554178
Molecular FormulaC14H19F2O4P
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC Name3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc(C=CCO)cc1
InChIInChI=1S/C14H19F2O4P/c1-3-19-21(18,20-4-2)14(15,16)13-9-7-12(8-10-13)6-5-11-17/h5-10,17H,3-4,11H2,1-2H3
InChIKeyHPHYQFOQJKWOEF-UHFFFAOYSA-N
XLogP4.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-enoate
CID 74007963
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
4-[diethoxyphosphoryl(difluoro)methyl]aniline;hydrochloride
CID 21088749
(E)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]but-2-enoate
CID 152758125
1-[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enyl]-4-fluorobenzene
CID 101098384
propan-2-yl 4-[2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]methyl]-5-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-1-(4-fluorophenyl)-1-oxopent-4-en-2-yl]benzoate
CID 91282329
N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide
CID 86605697
[2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol
CID 54304124
(2,3,4,5,6-pentachlorophenyl) (E)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]but-2-enoate
CID 53248038
(E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol
CID 10706849
3-(4-methylsulfonylphenyl)prop-2-en-1-ol
CID 71340386
3-(4-chlorophenyl)prop-2-enyl diethyl phosphate
CID 71374649

Frequently Asked Questions

What is the IUPAC name of 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol (CID 91554178) is 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol is CCOP(=O)(OCC)C(F)(F)c1ccc(C=CCO)cc1.
What is the InChIKey of 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol?
The InChIKey is HPHYQFOQJKWOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2O4P/c1-3-19-21(18,20-4-2)14(15,16)13-9-7-12(8-10-13)6-5-11-17/h5-10,17H,3-4,11H2,1-2H3.
What are the key properties of 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol?
3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol has a molecular weight of 320.27 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol is sourced from PubChem (CID 91554178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).