(1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol

C18H17FN4O — CID 118374154

IUPAC(1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol
SMILES[N-]=[N+]=N[C@H]1CCC[C@@H](n2c3ccccc3c3cc(F)ccc32)[C@@H]1O
InChIInChI=1S/C18H17FN4O/c19-11-8-9-16-13(10-11)12-4-1-2-6-15(12)23(16)17-7-3-5-14(18(17)24)21-22-20/h1-2,4,6,8-10,14,17-18,24H,3,5,7H2/t14-,17+,18+/m0/s1
InChIKeyLRHRTUSZKGZNRU-BMGDILEWSA-N
MW324.36 g/mol
LogP4.70
Rot. Bonds2

About (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol

(1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol (PubChem CID 118374154) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol
PubChem CID118374154
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name(1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol
SMILES[N-]=[N+]=N[C@H]1CCC[C@@H](n2c3ccccc3c3cc(F)ccc32)[C@@H]1O
InChIInChI=1S/C18H17FN4O/c19-11-8-9-16-13(10-11)12-4-1-2-6-15(12)23(16)17-7-3-5-14(18(17)24)21-22-20/h1-2,4,6,8-10,14,17-18,24H,3,5,7H2/t14-,17+,18+/m0/s1
InChIKeyLRHRTUSZKGZNRU-BMGDILEWSA-N
XLogP4.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol?
The IUPAC name of (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol (CID 118374154) is (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol?
The canonical SMILES for (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol is [N-]=[N+]=N[C@H]1CCC[C@@H](n2c3ccccc3c3cc(F)ccc32)[C@@H]1O.
What is the InChIKey of (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol?
The InChIKey is LRHRTUSZKGZNRU-BMGDILEWSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-11-8-9-16-13(10-11)12-4-1-2-6-15(12)23(16)17-7-3-5-14(18(17)24)21-22-20/h1-2,4,6,8-10,14,17-18,24H,3,5,7H2/t14-,17+,18+/m0/s1.
What are the key properties of (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol?
(1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol has a molecular weight of 324.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R)-2-azido-6-(3-fluorocarbazol-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 118374154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).