1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene

C7H2BrF4N3 — CID 169326651

IUPAC1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene
SMILES[N-]=[N+]=Nc1ccc(Br)c(F)c1C(F)(F)F
InChIInChI=1S/C7H2BrF4N3/c8-3-1-2-4(14-15-13)5(6(3)9)7(10,11)12/h1-2H
InChIKeyYRCMYHALGSPZFG-UHFFFAOYSA-N
MW284.01 g/mol
LogP4.55
Rot. Bonds1

About 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene

1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene (PubChem CID 169326651) has the molecular formula C7H2BrF4N3 and a molecular weight of 284.01 g/mol. Its IUPAC name is 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene
PubChem CID169326651
Molecular FormulaC7H2BrF4N3
Molecular Weight284.01 g/mol
Exact Mass282.94
IUPAC Name1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene
SMILES[N-]=[N+]=Nc1ccc(Br)c(F)c1C(F)(F)F
InChIInChI=1S/C7H2BrF4N3/c8-3-1-2-4(14-15-13)5(6(3)9)7(10,11)12/h1-2H
InChIKeyYRCMYHALGSPZFG-UHFFFAOYSA-N
XLogP4.55
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.01
LogP ≤ 54.55
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

6-azido-3-bromo-2-fluorobenzoic acid
CID 169324817
2-[4-bromo-3-fluoro-2-(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168605940
1-azido-2-bromo-4-(trifluoromethylsulfanyl)benzene
CID 151892372
2-azido-1,4-dibromobenzene
CID 139064020
1-azido-2,3,4,5,6-pentakis(trifluoromethyl)benzene
CID 151989480
1-azido-2-bromo-5-fluoro-4-iodobenzene
CID 169325318
1-azido-4-bromo-2,5-difluorobenzene
CID 90298794
1-azido-4-bromo-2-(trifluoromethoxy)benzene
CID 150673449
1-azido-2,4-dibromo-3,5-difluorobenzene
CID 169324782
1-azido-2-bromo-4-(difluoromethylsulfonyl)benzene
CID 169326408
3-bromo-6-fluoro-2-(trifluoromethyl)benzenethiol
CID 171008441
4-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 130881753

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene (CID 169326651) is 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene is [N-]=[N+]=Nc1ccc(Br)c(F)c1C(F)(F)F.
What is the InChIKey of 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is YRCMYHALGSPZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF4N3/c8-3-1-2-4(14-15-13)5(6(3)9)7(10,11)12/h1-2H.
What are the key properties of 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene?
1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 284.01 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 169326651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).