2-azido-4-fluoro-1,5-diphenylpentan-3-ol

C17H18FN3O — CID 22910080

IUPAC2-azido-4-fluoro-1,5-diphenylpentan-3-ol
SMILES[N-]=[N+]=NC(Cc1ccccc1)C(O)C(F)Cc1ccccc1
InChIInChI=1S/C17H18FN3O/c18-15(11-13-7-3-1-4-8-13)17(22)16(20-21-19)12-14-9-5-2-6-10-14/h1-10,15-17,22H,11-12H2
InChIKeyDQPXDKVJZKFFKJ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.85
Rot. Bonds7

About 2-azido-4-fluoro-1,5-diphenylpentan-3-ol

2-azido-4-fluoro-1,5-diphenylpentan-3-ol (PubChem CID 22910080) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-azido-4-fluoro-1,5-diphenylpentan-3-ol.

Molecular Properties

Compound Name2-azido-4-fluoro-1,5-diphenylpentan-3-ol
PubChem CID22910080
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name2-azido-4-fluoro-1,5-diphenylpentan-3-ol
SMILES[N-]=[N+]=NC(Cc1ccccc1)C(O)C(F)Cc1ccccc1
InChIInChI=1S/C17H18FN3O/c18-15(11-13-7-3-1-4-8-13)17(22)16(20-21-19)12-14-9-5-2-6-10-14/h1-10,15-17,22H,11-12H2
InChIKeyDQPXDKVJZKFFKJ-UHFFFAOYSA-N
XLogP3.85
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2,4-Diamino-1,5-diphenyl-3-hydroxypentane
CID 452307
(2S,3R)-2-amino-1-phenyloctadecan-3-ol
CID 118735812
3-Amino-1,4-diphenyl-butan-2-ol
CID 10331928
2,5-Diamino-4,4-difluoro-1,6-diphenyl-hexan-3-ol
CID 3011052
(2S,3S)-2-amino-3-fluoro-5-phenylpentan-1-ol
CID 10655534
(2S,3R)-2-amino-1-phenyldodecan-3-ol
CID 118735811
Vitroprocine H
CID 156581199
(2S,3R,5S)-2,5-diamino-1,6-diphenyl-hexan-3-ol
CID 56845285
(2S,3S)-3-azido-4-phenylbutane-1,2-diol
CID 11117244
2-Azido-1,2-diphenylethanol
CID 12448380
1-Azido-1-phenylpropan-2-ol
CID 72960759
(1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol
CID 102523597

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-fluoro-1,5-diphenylpentan-3-ol?
The IUPAC name of 2-azido-4-fluoro-1,5-diphenylpentan-3-ol (CID 22910080) is 2-azido-4-fluoro-1,5-diphenylpentan-3-ol.
What is the SMILES notation for 2-azido-4-fluoro-1,5-diphenylpentan-3-ol?
The canonical SMILES for 2-azido-4-fluoro-1,5-diphenylpentan-3-ol is [N-]=[N+]=NC(Cc1ccccc1)C(O)C(F)Cc1ccccc1.
What is the InChIKey of 2-azido-4-fluoro-1,5-diphenylpentan-3-ol?
The InChIKey is DQPXDKVJZKFFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15(11-13-7-3-1-4-8-13)17(22)16(20-21-19)12-14-9-5-2-6-10-14/h1-10,15-17,22H,11-12H2.
What are the key properties of 2-azido-4-fluoro-1,5-diphenylpentan-3-ol?
2-azido-4-fluoro-1,5-diphenylpentan-3-ol has a molecular weight of 299.35 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-fluoro-1,5-diphenylpentan-3-ol is sourced from PubChem (CID 22910080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).