[4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane

C22H20F2NO2PS — CID 170093805

IUPAC[4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane
SMILESC=CP(=O)(C=C)c1ccc(-c2cccnc2Oc2ccc(S(C)(F)F)cc2)cc1
InChIInChI=1S/C22H20F2NO2PS/c1-4-28(26,5-2)19-12-8-17(9-13-19)21-7-6-16-25-22(21)27-18-10-14-20(15-11-18)29(3,23)24/h4-16H,1-2H2,3H3
InChIKeyJGRSSXKPAZTQFV-UHFFFAOYSA-N
MW431.44 g/mol
LogP7.38
Rot. Bonds7

About [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane

[4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane (PubChem CID 170093805) has the molecular formula C22H20F2NO2PS and a molecular weight of 431.44 g/mol. Its IUPAC name is [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane.

Molecular Properties

Compound Name[4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane
PubChem CID170093805
Molecular FormulaC22H20F2NO2PS
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name[4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane
SMILESC=CP(=O)(C=C)c1ccc(-c2cccnc2Oc2ccc(S(C)(F)F)cc2)cc1
InChIInChI=1S/C22H20F2NO2PS/c1-4-28(26,5-2)19-12-8-17(9-13-19)21-7-6-16-25-22(21)27-18-10-14-20(15-11-18)29(3,23)24/h4-16H,1-2H2,3H3
InChIKeyJGRSSXKPAZTQFV-UHFFFAOYSA-N
XLogP7.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108639
2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide
CID 115928497
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 43806809
(4Z)-4-(dimethylaminomethylidene)-2-[2-(4-methylphenoxy)-3-pyridinyl]-1,3-oxazol-5-one
CID 2801111
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
3-[4-(2-methoxyethoxy)phenyl]-2-methylpyridine
CID 90168005
3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
CID 135235807
[2,2,2-trifluoro-1-[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]ethyl] 4-methylbenzenesulfonate
CID 135235673
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
CID 55661422
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
CID 59374228
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane?
The IUPAC name of [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane (CID 170093805) is [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane.
What is the SMILES notation for [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane?
The canonical SMILES for [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane is C=CP(=O)(C=C)c1ccc(-c2cccnc2Oc2ccc(S(C)(F)F)cc2)cc1.
What is the InChIKey of [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane?
The InChIKey is JGRSSXKPAZTQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2NO2PS/c1-4-28(26,5-2)19-12-8-17(9-13-19)21-7-6-16-25-22(21)27-18-10-14-20(15-11-18)29(3,23)24/h4-16H,1-2H2,3H3.
What are the key properties of [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane?
[4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane has a molecular weight of 431.44 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane is sourced from PubChem (CID 170093805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).