1-azido-2,3-difluoro-5-methoxy-4-methylbenzene

C8H7F2N3O — CID 169326636

IUPAC1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
SMILESCOc1cc(N=[N+]=[N-])c(F)c(F)c1C
InChIInChI=1S/C8H7F2N3O/c1-4-6(14-2)3-5(12-13-11)8(10)7(4)9/h3H,1-2H3
InChIKeyPSKFHWRENJQIAB-UHFFFAOYSA-N
MW199.16 g/mol
LogP3.22
Rot. Bonds2

About 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene

1-azido-2,3-difluoro-5-methoxy-4-methylbenzene (PubChem CID 169326636) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
PubChem CID169326636
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
SMILESCOc1cc(N=[N+]=[N-])c(F)c(F)c1C
InChIInChI=1S/C8H7F2N3O/c1-4-6(14-2)3-5(12-13-11)8(10)7(4)9/h3H,1-2H3
InChIKeyPSKFHWRENJQIAB-UHFFFAOYSA-N
XLogP3.22
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 53.22
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
3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene
CID 164895356
1-azido-2-bromo-4-chloro-5-methoxybenzene
CID 150038194
2-azido-1,3-difluoro-4-methoxybenzene
CID 150325663
1-azido-2,4,5-trimethylbenzene
CID 3025812
2-azido-5-chloro-4-methoxybenzaldehyde
CID 129103842
1-azido-5-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 169325979
1-azido-4-methoxy-2,3-dinitrobenzene
CID 150548251
1-azido-4-methoxynaphthalene
CID 20536800
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
1-azido-3-fluoro-2-methylbenzene
CID 56828422
1,3-diazido-2-methylbenzene
CID 71379514

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene?
The IUPAC name of 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene (CID 169326636) is 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene.
What is the SMILES notation for 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene?
The canonical SMILES for 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene is COc1cc(N=[N+]=[N-])c(F)c(F)c1C.
What is the InChIKey of 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene?
The InChIKey is PSKFHWRENJQIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c1-4-6(14-2)3-5(12-13-11)8(10)7(4)9/h3H,1-2H3.
What are the key properties of 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene?
1-azido-2,3-difluoro-5-methoxy-4-methylbenzene has a molecular weight of 199.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,3-difluoro-5-methoxy-4-methylbenzene is sourced from PubChem (CID 169326636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).