1-azido-2-ethoxy-3,5-difluorobenzene

C8H7F2N3O — CID 150103963

IUPAC1-azido-2-ethoxy-3,5-difluorobenzene
SMILESCCOc1c(F)cc(F)cc1N=[N+]=[N-]
InChIInChI=1S/C8H7F2N3O/c1-2-14-8-6(10)3-5(9)4-7(8)12-13-11/h3-4H,2H2,1H3
InChIKeyDVVPRKOUELVUER-UHFFFAOYSA-N
MW199.16 g/mol
LogP3.31
Rot. Bonds3

About 1-azido-2-ethoxy-3,5-difluorobenzene

1-azido-2-ethoxy-3,5-difluorobenzene (PubChem CID 150103963) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 1-azido-2-ethoxy-3,5-difluorobenzene.

Molecular Properties

Compound Name1-azido-2-ethoxy-3,5-difluorobenzene
PubChem CID150103963
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name1-azido-2-ethoxy-3,5-difluorobenzene
SMILESCCOc1c(F)cc(F)cc1N=[N+]=[N-]
InChIInChI=1S/C8H7F2N3O/c1-2-14-8-6(10)3-5(9)4-7(8)12-13-11/h3-4H,2H2,1H3
InChIKeyDVVPRKOUELVUER-UHFFFAOYSA-N
XLogP3.31
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 53.31
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

5-azido-1-chloro-2-ethoxy-3-fluorobenzene
CID 151137771
1-azido-5-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 169325979
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440
3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine
CID 83886567
2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341879
2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
CID 83887419
ethane;1-ethoxy-3,5-difluoro-2-methylbenzene
CID 169134909
ethyl 5-azido-2,4-difluorobenzoate
CID 102479903
ethyl 2-(2-ethoxy-3,5-difluorophenyl)-2-oxoacetate
CID 91656339
1,2-diethoxy-5-fluoro-3-iodobenzene
CID 164896082
1,4-diethoxy-2,5-difluorobenzene
CID 58718970

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-ethoxy-3,5-difluorobenzene?
The IUPAC name of 1-azido-2-ethoxy-3,5-difluorobenzene (CID 150103963) is 1-azido-2-ethoxy-3,5-difluorobenzene.
What is the SMILES notation for 1-azido-2-ethoxy-3,5-difluorobenzene?
The canonical SMILES for 1-azido-2-ethoxy-3,5-difluorobenzene is CCOc1c(F)cc(F)cc1N=[N+]=[N-].
What is the InChIKey of 1-azido-2-ethoxy-3,5-difluorobenzene?
The InChIKey is DVVPRKOUELVUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c1-2-14-8-6(10)3-5(9)4-7(8)12-13-11/h3-4H,2H2,1H3.
What are the key properties of 1-azido-2-ethoxy-3,5-difluorobenzene?
1-azido-2-ethoxy-3,5-difluorobenzene has a molecular weight of 199.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-ethoxy-3,5-difluorobenzene is sourced from PubChem (CID 150103963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).