3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C28H30FNO — CID 178065066

IUPAC3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESFCC1CCC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CCCN12
InChIInChI=1S/C28H30FNO/c29-21-26-17-19-27(18-10-20-30(26)27)22-31-28(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2
InChIKeyPROKJTUKKIIRIH-UHFFFAOYSA-N
MW415.55 g/mol
LogP5.96
Rot. Bonds7

About 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 178065066) has the molecular formula C28H30FNO and a molecular weight of 415.55 g/mol. Its IUPAC name is 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID178065066
Molecular FormulaC28H30FNO
Molecular Weight415.55 g/mol
Exact Mass415.23
IUPAC Name3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESFCC1CCC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CCCN12
InChIInChI=1S/C28H30FNO/c29-21-26-17-19-27(18-10-20-30(26)27)22-31-28(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2
InChIKeyPROKJTUKKIIRIH-UHFFFAOYSA-N
XLogP5.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-3-(diphenylmethoxy)pyrrolidine
CID 3025360
(1R,2R,3R,8R)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11339728
(R)-3-fluoro-1-((S)-1-(trityloxy)propan-2-yl)pyrrolidine
CID 86682909
3-Fluoro-1-(1-trityloxypropan-2-yl)pyrrolidine
CID 89541137
(R)-3-(fluoromethyl)-1-((S)-1-(trityloxy)propan-2-yl)pyrrolidine
CID 89634608
(R)-3-(Fluoromethyl)-1-((S)-1-(trityloxy)-propan-2-yl)pyrrolidine
CID 117774299
3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine
CID 126636061
(7aR)-1,1-bis[3,5-bis(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazole
CID 141427494
(2S)-2-[bis(4-fluorophenyl)methoxymethyl]-1-[2-(4-methylphenyl)ethyl]pyrrolidine
CID 142098068
(3R,7aS)-6-fluoro-3-phenyl-6-phenylselanyl-3,5,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 165179461
Rel-(2R,7aS)-7a-((benzyloxy)methyl)-2-fluorohexahydro-1H-pyrrolizine
CID 166929113
(1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168880814

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 178065066) is 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is FCC1CCC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CCCN12.
What is the InChIKey of 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is PROKJTUKKIIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO/c29-21-26-17-19-27(18-10-20-30(26)27)22-31-28(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2.
What are the key properties of 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 415.55 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 178065066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).