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

C18H16F2N4O — CID 134238529

IUPACtrans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol
SMILES[N-]=[N+]=NC1CCC[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@@H]1O
InChIInChI=1S/C18H16F2N4O/c19-10-4-6-15-12(8-10)13-9-11(20)5-7-16(13)24(15)17-3-1-2-14(18(17)25)22-23-21/h4-9,14,17-18,25H,1-3H2/t14?,17-,18-/m1/s1
InChIKeyRXKXLZDVAMGPAT-KNHHTTPFSA-N
MW342.35 g/mol
LogP4.84
Rot. Bonds2

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

trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol (PubChem CID 134238529) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol
PubChem CID134238529
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Nametrans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol
SMILES[N-]=[N+]=NC1CCC[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@@H]1O
InChIInChI=1S/C18H16F2N4O/c19-10-4-6-15-12(8-10)13-9-11(20)5-7-16(13)24(15)17-3-1-2-14(18(17)25)22-23-21/h4-9,14,17-18,25H,1-3H2/t14?,17-,18-/m1/s1
InChIKeyRXKXLZDVAMGPAT-KNHHTTPFSA-N
XLogP4.84
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.84
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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Related Compounds

(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 76901758
(3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 76901959
(3aS,4R,7aR)-4-(3,8-difluoro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1S,2S,6R)-2-azido-6-(3,8-difluoro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclohexan-1-ol
CID 162198860
(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 118595150
3-carbazol-9-ylcyclohexane-1,2-diol
CID 123529337
methyl 1-(4-azidocyclopenten-1-yl)-5-fluoroindole-3-carboxylate
CID 141029275
N-[(1R,2R)-3-(3-fluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 134402065
[1-[(1S,3S)-3-azidocyclopentyl]-5-fluoroindol-3-yl] cyanate
CID 141029279
3-chloro-6-fluoro-9-piperidin-4-ylcarbazole
CID 137447183
tert-butyl (3S,4S,5S)-3-(3,6-difluorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate
CID 135315512

Frequently Asked Questions

What is the IUPAC name of trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol (CID 134238529) is trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol is [N-]=[N+]=NC1CCC[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@@H]1O.
What is the InChIKey of trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol?
The InChIKey is RXKXLZDVAMGPAT-KNHHTTPFSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-10-4-6-15-12(8-10)13-9-11(20)5-7-16(13)24(15)17-3-1-2-14(18(17)25)22-23-21/h4-9,14,17-18,25H,1-3H2/t14?,17-,18-/m1/s1.
What are the key properties of trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol?
trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol has a molecular weight of 342.35 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 134238529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).