1-azido-4-[(4-fluorophenyl)methoxy]benzene

C13H10FN3O — CID 150502855

IUPAC1-azido-4-[(4-fluorophenyl)methoxy]benzene
SMILES[N-]=[N+]=Nc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C13H10FN3O/c14-11-3-1-10(2-4-11)9-18-13-7-5-12(6-8-13)16-17-15/h1-8H,9H2
InChIKeyHYEGDQIEFIXKGB-UHFFFAOYSA-N
MW243.24 g/mol
LogP4.35
Rot. Bonds4

About 1-azido-4-[(4-fluorophenyl)methoxy]benzene

1-azido-4-[(4-fluorophenyl)methoxy]benzene (PubChem CID 150502855) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-azido-4-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-azido-4-[(4-fluorophenyl)methoxy]benzene
PubChem CID150502855
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name1-azido-4-[(4-fluorophenyl)methoxy]benzene
SMILES[N-]=[N+]=Nc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C13H10FN3O/c14-11-3-1-10(2-4-11)9-18-13-7-5-12(6-8-13)16-17-15/h1-8H,9H2
InChIKeyHYEGDQIEFIXKGB-UHFFFAOYSA-N
XLogP4.35
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 54.35
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

1-azido-4-(18F)fluorobenzene
CID 15186747
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24692353
2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 169368086
1-azido-3-(4-phenylmethoxyphenyl)benzene
CID 169326217
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-azido-4-[(4-fluorophenyl)methoxy]benzene (CID 150502855) is 1-azido-4-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-azido-4-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-azido-4-[(4-fluorophenyl)methoxy]benzene is [N-]=[N+]=Nc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-azido-4-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is HYEGDQIEFIXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-11-3-1-10(2-4-11)9-18-13-7-5-12(6-8-13)16-17-15/h1-8H,9H2.
What are the key properties of 1-azido-4-[(4-fluorophenyl)methoxy]benzene?
1-azido-4-[(4-fluorophenyl)methoxy]benzene has a molecular weight of 243.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-[(4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 150502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).