(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine

C21H17FNO2P — CID 162411968

IUPAC(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine
SMILESO=P(O/N=C1\CCc2cc(F)ccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17FNO2P/c22-17-12-13-20-16(15-17)11-14-21(20)23-25-26(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,12-13,15H,11,14H2/b23-21+
InChIKeyRWGKQZCHMVXCOU-XTQSDGFTSA-N
MW365.34 g/mol
LogP4.42
Rot. Bonds4

About (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine

(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine (PubChem CID 162411968) has the molecular formula C21H17FNO2P and a molecular weight of 365.34 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine
PubChem CID162411968
Molecular FormulaC21H17FNO2P
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine
SMILESO=P(O/N=C1\CCc2cc(F)ccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17FNO2P/c22-17-12-13-20-16(15-17)11-14-21(20)23-25-26(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,12-13,15H,11,14H2/b23-21+
InChIKeyRWGKQZCHMVXCOU-XTQSDGFTSA-N
XLogP4.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-N-bis(3-fluorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153521989
(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
(E)-N-bis(4-fluorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153522002
(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
CID 162411972
(E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 162411973
(Z)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine
CID 20650068
(E)-N-diphenylphosphoryl-2,3-dihydroinden-1-imine
CID 11313530
(E)-Acetophenone O-diphenylphosphoryl oxime
CID 139061986
(E)-N-bis(4-chlorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153521990
(E)-N-diphenylphosphoryloxy-2,3-dihydroinden-1-imine
CID 153521997
(E)-N-bis(4-methylphenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153521999
(E)-N-bis(3,5-dimethylphenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153522000

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine (CID 162411968) is (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine is O=P(O/N=C1\CCc2cc(F)ccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine?
The InChIKey is RWGKQZCHMVXCOU-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H17FNO2P/c22-17-12-13-20-16(15-17)11-14-21(20)23-25-26(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,12-13,15H,11,14H2/b23-21+.
What are the key properties of (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine?
(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine has a molecular weight of 365.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine is sourced from PubChem (CID 162411968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).