5-azido-1-chloro-2-ethoxy-3-fluorobenzene

C8H7ClFN3O — CID 151137771

IUPAC5-azido-1-chloro-2-ethoxy-3-fluorobenzene
SMILESCCOc1c(F)cc(N=[N+]=[N-])cc1Cl
InChIInChI=1S/C8H7ClFN3O/c1-2-14-8-6(9)3-5(12-13-11)4-7(8)10/h3-4H,2H2,1H3
InChIKeyMVOBCXIRTVQIHB-UHFFFAOYSA-N
MW215.62 g/mol
LogP3.82
Rot. Bonds3

About 5-azido-1-chloro-2-ethoxy-3-fluorobenzene

5-azido-1-chloro-2-ethoxy-3-fluorobenzene (PubChem CID 151137771) has the molecular formula C8H7ClFN3O and a molecular weight of 215.62 g/mol. Its IUPAC name is 5-azido-1-chloro-2-ethoxy-3-fluorobenzene.

Molecular Properties

Compound Name5-azido-1-chloro-2-ethoxy-3-fluorobenzene
PubChem CID151137771
Molecular FormulaC8H7ClFN3O
Molecular Weight215.62 g/mol
Exact Mass215.03
IUPAC Name5-azido-1-chloro-2-ethoxy-3-fluorobenzene
SMILESCCOc1c(F)cc(N=[N+]=[N-])cc1Cl
InChIInChI=1S/C8H7ClFN3O/c1-2-14-8-6(9)3-5(12-13-11)4-7(8)10/h3-4H,2H2,1H3
InChIKeyMVOBCXIRTVQIHB-UHFFFAOYSA-N
XLogP3.82
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 53.82
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-ethoxy-3,5-difluorobenzene
CID 150103963
3-chloro-4-ethoxy-5-fluorobenzoic acid
CID 46737656
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
(1R)-1-(3-chloro-4-ethoxy-5-fluorophenyl)-3,3-difluoropropan-1-amine
CID 171313975
6-chloro-7-ethoxy-4-fluoro-1-benzothiophene
CID 130826535
(1S)-1-(3-chloro-4-ethoxy-5-fluorophenyl)-4-methylpentan-1-amine
CID 171234593
(1R,2S)-1-amino-1-(3-chloro-4-ethoxy-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171265564
(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclopropylmethanamine
CID 171234577
5-azido-3-fluoro-2-methoxypyridine
CID 142621204
(1S)-1-(3-chloro-4-ethoxy-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311983
ethyl 3-azido-5-chlorobenzoate
CID 150920068
(2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171271254

Frequently Asked Questions

What is the IUPAC name of 5-azido-1-chloro-2-ethoxy-3-fluorobenzene?
The IUPAC name of 5-azido-1-chloro-2-ethoxy-3-fluorobenzene (CID 151137771) is 5-azido-1-chloro-2-ethoxy-3-fluorobenzene.
What is the SMILES notation for 5-azido-1-chloro-2-ethoxy-3-fluorobenzene?
The canonical SMILES for 5-azido-1-chloro-2-ethoxy-3-fluorobenzene is CCOc1c(F)cc(N=[N+]=[N-])cc1Cl.
What is the InChIKey of 5-azido-1-chloro-2-ethoxy-3-fluorobenzene?
The InChIKey is MVOBCXIRTVQIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN3O/c1-2-14-8-6(9)3-5(12-13-11)4-7(8)10/h3-4H,2H2,1H3.
What are the key properties of 5-azido-1-chloro-2-ethoxy-3-fluorobenzene?
5-azido-1-chloro-2-ethoxy-3-fluorobenzene has a molecular weight of 215.62 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1-chloro-2-ethoxy-3-fluorobenzene is sourced from PubChem (CID 151137771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).