1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene

C9H9F2N3O — CID 169325952

IUPAC1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene
SMILESCc1ccc(N=[N+]=[N-])c(OCC(F)F)c1
InChIInChI=1S/C9H9F2N3O/c1-6-2-3-7(13-14-12)8(4-6)15-5-9(10)11/h2-4,9H,5H2,1H3
InChIKeyITZGKNPDDVJQHZ-UHFFFAOYSA-N
MW213.19 g/mol
LogP3.58
Rot. Bonds4

About 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene

1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene (PubChem CID 169325952) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene
PubChem CID169325952
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene
SMILESCc1ccc(N=[N+]=[N-])c(OCC(F)F)c1
InChIInChI=1S/C9H9F2N3O/c1-6-2-3-7(13-14-12)8(4-6)15-5-9(10)11/h2-4,9H,5H2,1H3
InChIKeyITZGKNPDDVJQHZ-UHFFFAOYSA-N
XLogP3.58
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 53.58
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-2-methoxy-4-methylbenzene
CID 152671087
2-(2,2-difluoroethoxy)-5-methylaniline
CID 19622888
2-(2,2-difluoroethoxy)-1-ethynyl-4-methylbenzene
CID 155928767
1-azido-2-(dimethoxymethyl)-4-methylbenzene
CID 71531091
1-azido-2-(chloromethyl)-4-methylbenzene
CID 10464942
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
(2-azido-5-methylphenyl) propanimidothioate
CID 22027256
2-(2-azidophenoxy)-5-methylphenol
CID 86607775
3-[2-(2,2-difluoroethoxy)-5-methylphenyl]prop-2-yn-1-amine
CID 60921910
1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene
CID 177336564

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene?
The IUPAC name of 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene (CID 169325952) is 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene.
What is the SMILES notation for 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene?
The canonical SMILES for 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene is Cc1ccc(N=[N+]=[N-])c(OCC(F)F)c1.
What is the InChIKey of 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene?
The InChIKey is ITZGKNPDDVJQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-6-2-3-7(13-14-12)8(4-6)15-5-9(10)11/h2-4,9H,5H2,1H3.
What are the key properties of 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene?
1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene has a molecular weight of 213.19 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene is sourced from PubChem (CID 169325952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).