1-(2-azidoethyl)-4-chloro-2-fluorobenzene

C8H7ClFN3 — CID 151155603

IUPAC1-(2-azidoethyl)-4-chloro-2-fluorobenzene
SMILES[N-]=[N+]=NCCc1ccc(Cl)cc1F
InChIInChI=1S/C8H7ClFN3/c9-7-2-1-6(8(10)5-7)3-4-12-13-11/h1-2,5H,3-4H2
InChIKeyMZDVSILSHGAUSO-UHFFFAOYSA-N
MW199.62 g/mol
LogP3.33
Rot. Bonds3

About 1-(2-azidoethyl)-4-chloro-2-fluorobenzene

1-(2-azidoethyl)-4-chloro-2-fluorobenzene (PubChem CID 151155603) has the molecular formula C8H7ClFN3 and a molecular weight of 199.62 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-chloro-2-fluorobenzene
PubChem CID151155603
Molecular FormulaC8H7ClFN3
Molecular Weight199.62 g/mol
Exact Mass199.03
IUPAC Name1-(2-azidoethyl)-4-chloro-2-fluorobenzene
SMILES[N-]=[N+]=NCCc1ccc(Cl)cc1F
InChIInChI=1S/C8H7ClFN3/c9-7-2-1-6(8(10)5-7)3-4-12-13-11/h1-2,5H,3-4H2
InChIKeyMZDVSILSHGAUSO-UHFFFAOYSA-N
XLogP3.33
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.62
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-azidoethyl)-2-chloro-4-fluorobenzene
CID 151122576
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
1-(azidomethyl)-2,4-difluorobenzene;1-(chloromethyl)-2,4-difluorobenzene
CID 158479516
1-(2-azidoethyl)-4-methoxy-2-methylbenzene
CID 151451429
5-chloro-2-[2-(4-chloro-2-fluorophenyl)ethyl]benzaldehyde
CID 89436970
N-(2-azidoethyl)-5-chloro-2-fluorobenzamide
CID 61343785
2-(2-azidoethylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843792
4-(2-azidoethoxy)-1-chloro-2-fluorobenzene
CID 82716995
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
4-(2-azidoethylsulfonyl)-2-chloro-1-fluorobenzene
CID 61396929
sodium;2-(4-chloro-2-fluorophenyl)ethanesulfonic acid;hydride
CID 173143552

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-4-chloro-2-fluorobenzene?
The IUPAC name of 1-(2-azidoethyl)-4-chloro-2-fluorobenzene (CID 151155603) is 1-(2-azidoethyl)-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-(2-azidoethyl)-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-(2-azidoethyl)-4-chloro-2-fluorobenzene is [N-]=[N+]=NCCc1ccc(Cl)cc1F.
What is the InChIKey of 1-(2-azidoethyl)-4-chloro-2-fluorobenzene?
The InChIKey is MZDVSILSHGAUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN3/c9-7-2-1-6(8(10)5-7)3-4-12-13-11/h1-2,5H,3-4H2.
What are the key properties of 1-(2-azidoethyl)-4-chloro-2-fluorobenzene?
1-(2-azidoethyl)-4-chloro-2-fluorobenzene has a molecular weight of 199.62 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-chloro-2-fluorobenzene is sourced from PubChem (CID 151155603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).