3-(4-fluorophenyl)-N-trityloxypropan-1-imine

C28H24FNO — CID 163288846

IUPAC3-(4-fluorophenyl)-N-trityloxypropan-1-imine
SMILESFc1ccc(CCC=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24FNO/c29-27-20-18-23(19-21-27)11-10-22-30-31-28(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-22H,10-11H2
InChIKeyCCGPNUOBJIJKLW-UHFFFAOYSA-N
MW409.50 g/mol
LogP6.75
Rot. Bonds8

About 3-(4-fluorophenyl)-N-trityloxypropan-1-imine

3-(4-fluorophenyl)-N-trityloxypropan-1-imine (PubChem CID 163288846) has the molecular formula C28H24FNO and a molecular weight of 409.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-trityloxypropan-1-imine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-trityloxypropan-1-imine
PubChem CID163288846
Molecular FormulaC28H24FNO
Molecular Weight409.50 g/mol
Exact Mass409.18
IUPAC Name3-(4-fluorophenyl)-N-trityloxypropan-1-imine
SMILESFc1ccc(CCC=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24FNO/c29-27-20-18-23(19-21-27)11-10-22-30-31-28(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-22H,10-11H2
InChIKeyCCGPNUOBJIJKLW-UHFFFAOYSA-N
XLogP6.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-phenyl-N-trityloxymethanimine
CID 5382595
N-methoxy-3-phenylpropan-1-imine
CID 73200493
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518
1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
CID 141324815
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline
CID 9466517
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
CID 64768756

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-trityloxypropan-1-imine?
The IUPAC name of 3-(4-fluorophenyl)-N-trityloxypropan-1-imine (CID 163288846) is 3-(4-fluorophenyl)-N-trityloxypropan-1-imine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-trityloxypropan-1-imine?
The canonical SMILES for 3-(4-fluorophenyl)-N-trityloxypropan-1-imine is Fc1ccc(CCC=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-trityloxypropan-1-imine?
The InChIKey is CCGPNUOBJIJKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO/c29-27-20-18-23(19-21-27)11-10-22-30-31-28(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-22H,10-11H2.
What are the key properties of 3-(4-fluorophenyl)-N-trityloxypropan-1-imine?
3-(4-fluorophenyl)-N-trityloxypropan-1-imine has a molecular weight of 409.50 g/mol, XLogP of 6.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-trityloxypropan-1-imine is sourced from PubChem (CID 163288846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).