(1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol

C17H14FN3O — CID 102523597

IUPAC(1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol
SMILES[N-]=[N+]=N[C@@H]1CC(c2ccccc2)=C(c2ccc(F)cc2)[C@H]1O
InChIInChI=1S/C17H14FN3O/c18-13-8-6-12(7-9-13)16-14(11-4-2-1-3-5-11)10-15(17(16)22)20-21-19/h1-9,15,17,22H,10H2/t15-,17+/m1/s1
InChIKeyJKSDYVROIWYQFH-WBVHZDCISA-N
MW295.32 g/mol
LogP4.18
Rot. Bonds3

About (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol

(1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol (PubChem CID 102523597) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol
PubChem CID102523597
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name(1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol
SMILES[N-]=[N+]=N[C@@H]1CC(c2ccccc2)=C(c2ccc(F)cc2)[C@H]1O
InChIInChI=1S/C17H14FN3O/c18-13-8-6-12(7-9-13)16-14(11-4-2-1-3-5-11)10-15(17(16)22)20-21-19/h1-9,15,17,22H,10H2/t15-,17+/m1/s1
InChIKeyJKSDYVROIWYQFH-WBVHZDCISA-N
XLogP4.18
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 54.18
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-azido-1-(4-fluorophenyl)ethan-1-ol
CID 15253644
2-Azido-1,2-diphenylethanol
CID 12448380
2-Azido-1-(4-fluorophenyl)ethan-1-ol
CID 13930090
(1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol
CID 135056558
2-Azido-1-phenylpropane-1,3-diol
CID 14160277
(1RS,2SR)-2-amino-3-(4-fluorophenyl)-1-(4-(trifluoromethyl)phenyl)-1-propanol
CID 22261902
(1RS,2RS)-2-amino-1,3-bis(4-fluorophenyl)-1-propanol
CID 22261955
2-Azido-4-fluoro-1,5-diphenylpentan-3-ol
CID 22910080
(2S)-1-azido-3-(2,4,5-trifluorophenyl)propan-2-ol
CID 58058022
[4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]phenyl]methanol
CID 59155104
(1R,2S)-2-azido-3-fluoro-1-(4-iodophenyl)propan-1-ol
CID 59155164
(9R,10R)-10-[(2S)-3-azido-2-hydroxypropyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-ol
CID 59465339

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol?
The IUPAC name of (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol (CID 102523597) is (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol is [N-]=[N+]=N[C@@H]1CC(c2ccccc2)=C(c2ccc(F)cc2)[C@H]1O.
What is the InChIKey of (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol?
The InChIKey is JKSDYVROIWYQFH-WBVHZDCISA-N. The full InChI is InChI=1S/C17H14FN3O/c18-13-8-6-12(7-9-13)16-14(11-4-2-1-3-5-11)10-15(17(16)22)20-21-19/h1-9,15,17,22H,10H2/t15-,17+/m1/s1.
What are the key properties of (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol?
(1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol has a molecular weight of 295.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-azido-2-(4-fluorophenyl)-3-phenylcyclopent-2-en-1-ol is sourced from PubChem (CID 102523597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).