5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol

C24H24FNO2 — CID 174947587

IUPAC5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol
SMILESOC1CC(F)OC1CNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24FNO2/c25-23-16-21(27)22(28-23)17-26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-23,26-27H,16-17H2
InChIKeyITZULKWZQANPJU-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.01
Rot. Bonds6

About 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol

5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol (PubChem CID 174947587) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol
PubChem CID174947587
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol
SMILESOC1CC(F)OC1CNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24FNO2/c25-23-16-21(27)22(28-23)17-26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-23,26-27H,16-17H2
InChIKeyITZULKWZQANPJU-UHFFFAOYSA-N
XLogP4.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5R)-4-[benzyl(methyl)amino]-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)oxolan-3-ol
CID 38026759
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(4-phenylphenyl)methylamino]methyl]oxolane-3,4-diol
CID 44585380
(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585382
2-Hydroxymethyl-4-tritylmorpholine
CID 54443030
(3R,4S)-4-(((S)-1-Phenylethyl)amino)tetrahydrofuran-3-ol
CID 59896143
(3S,4R)-4-(((R)-1-Phenylethyl)amino)tetrahydrofuran-3-ol
CID 134861845
(2S,3S,4R,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 28962219
(2S,3R,4S)-4-[(4-fluorophenyl)methylamino]-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol
CID 125416875
1,1,1-Trifluoro-5-methyl-3-(tritylamino)hexan-2-ol
CID 21262204
(3R,4R)-3-[[4-(2,6-difluorophenyl)-2-fluorophenyl]methylamino]oxan-4-ol
CID 172488036
(E,1S,2S)-2-(benzhydrylamino)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-4-phenylbut-3-en-1-ol
CID 122218321
(E,1S,2S)-2-(benzhydrylamino)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylbut-3-en-1-ol
CID 122218329

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol?
The IUPAC name of 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol (CID 174947587) is 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol?
The canonical SMILES for 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol is OC1CC(F)OC1CNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol?
The InChIKey is ITZULKWZQANPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c25-23-16-21(27)22(28-23)17-26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-23,26-27H,16-17H2.
What are the key properties of 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol?
5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol has a molecular weight of 377.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(tritylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 174947587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).