cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine

C6H11F2N3O — CID 167634886

IUPACcis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
SMILESFF.[N-]=[N+]=N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C6H11N3O.F2/c7-9-8-5-3-1-2-4-6(5)10;1-2/h5-6,10H,1-4H2;/t5-,6+;/m0./s1
InChIKeyOIHIVOFGJVATMN-RIHPBJNCSA-N
MW179.17 g/mol
LogP2.44
Rot. Bonds1

About cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine

cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine (PubChem CID 167634886) has the molecular formula C6H11F2N3O and a molecular weight of 179.17 g/mol. Its IUPAC name is cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine.

Molecular Properties

Compound Namecis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
PubChem CID167634886
Molecular FormulaC6H11F2N3O
Molecular Weight179.17 g/mol
Exact Mass179.09
IUPAC Namecis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
SMILESFF.[N-]=[N+]=N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C6H11N3O.F2/c7-9-8-5-3-1-2-4-6(5)10;1-2/h5-6,10H,1-4H2;/t5-,6+;/m0./s1
InChIKeyOIHIVOFGJVATMN-RIHPBJNCSA-N
XLogP2.44
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.44
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'}

Analyze cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
8-azidocyclooct-4-en-1-ol
CID 173485913
2,5-diazidocyclopentan-1-ol
CID 85255446
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
[(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium
CID 91185910
1-azido-2-hydroperoxycyclododecane
CID 176903012
(3R,4R)-4-azido-1-methylpiperidin-3-ol
CID 149434787
cis-(1S,2R)-2-nitrosocyclohexan-1-ol
CID 89395534
trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid
CID 11469195
[(1R,2R)-2-azidocyclohexyl] carbonochloridate
CID 91623762

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine?
The IUPAC name of cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine (CID 167634886) is cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine.
What is the SMILES notation for cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine?
The canonical SMILES for cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine is FF.[N-]=[N+]=N[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine?
The InChIKey is OIHIVOFGJVATMN-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H11N3O.F2/c7-9-8-5-3-1-2-4-6(5)10;1-2/h5-6,10H,1-4H2;/t5-,6+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine?
cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine has a molecular weight of 179.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine is sourced from PubChem (CID 167634886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).