2-azido-1-cyclohexyloxy-4-fluorobenzene

C12H14FN3O — CID 151647198

IUPAC2-azido-1-cyclohexyloxy-4-fluorobenzene
SMILES[N-]=[N+]=Nc1cc(F)ccc1OC1CCCCC1
InChIInChI=1S/C12H14FN3O/c13-9-6-7-12(11(8-9)15-16-14)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyQTTMDIQZBMHMSU-UHFFFAOYSA-N
MW235.26 g/mol
LogP4.48
Rot. Bonds3

About 2-azido-1-cyclohexyloxy-4-fluorobenzene

2-azido-1-cyclohexyloxy-4-fluorobenzene (PubChem CID 151647198) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-azido-1-cyclohexyloxy-4-fluorobenzene.

Molecular Properties

Compound Name2-azido-1-cyclohexyloxy-4-fluorobenzene
PubChem CID151647198
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-azido-1-cyclohexyloxy-4-fluorobenzene
SMILES[N-]=[N+]=Nc1cc(F)ccc1OC1CCCCC1
InChIInChI=1S/C12H14FN3O/c13-9-6-7-12(11(8-9)15-16-14)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyQTTMDIQZBMHMSU-UHFFFAOYSA-N
XLogP4.48
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 54.48
H-Bond Donors ≤ 50
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

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CID 63705372
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2-cyclobutyloxy-1,4-difluorobenzene
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(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
1,2-dicyclohexyloxybenzene
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1-(2-cyclohexyloxy-4-fluorophenyl)ethanol
CID 63067859
4-cyclohexyloxy-3-fluoroaniline
CID 19627258
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde
CID 169334022

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-cyclohexyloxy-4-fluorobenzene?
The IUPAC name of 2-azido-1-cyclohexyloxy-4-fluorobenzene (CID 151647198) is 2-azido-1-cyclohexyloxy-4-fluorobenzene.
What is the SMILES notation for 2-azido-1-cyclohexyloxy-4-fluorobenzene?
The canonical SMILES for 2-azido-1-cyclohexyloxy-4-fluorobenzene is [N-]=[N+]=Nc1cc(F)ccc1OC1CCCCC1.
What is the InChIKey of 2-azido-1-cyclohexyloxy-4-fluorobenzene?
The InChIKey is QTTMDIQZBMHMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-9-6-7-12(11(8-9)15-16-14)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of 2-azido-1-cyclohexyloxy-4-fluorobenzene?
2-azido-1-cyclohexyloxy-4-fluorobenzene has a molecular weight of 235.26 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-cyclohexyloxy-4-fluorobenzene is sourced from PubChem (CID 151647198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).