4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine

C11H10BrFN2O — CID 116735323

IUPAC4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(F)c(Br)cc1NCc1ccco1
InChIInChI=1S/C11H10BrFN2O/c12-8-4-11(10(14)5-9(8)13)15-6-7-2-1-3-16-7/h1-5,15H,6,14H2
InChIKeyPKTJFBBJFGMUFS-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.38
Rot. Bonds3

About 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine

4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine (PubChem CID 116735323) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
PubChem CID116735323
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(F)c(Br)cc1NCc1ccco1
InChIInChI=1S/C11H10BrFN2O/c12-8-4-11(10(14)5-9(8)13)15-6-7-2-1-3-16-7/h1-5,15H,6,14H2
InChIKeyPKTJFBBJFGMUFS-UHFFFAOYSA-N
XLogP3.38
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
CID 62811049
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
4-bromo-5-fluoro-2-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 116736330
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine
CID 116736060
1-N-(furan-2-ylmethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382625
4-bromo-2-N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluorobenzene-1,2-diamine
CID 106037471
4-bromo-5-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393728

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine (CID 116735323) is 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine is Nc1cc(F)c(Br)cc1NCc1ccco1.
What is the InChIKey of 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is PKTJFBBJFGMUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-8-4-11(10(14)5-9(8)13)15-6-7-2-1-3-16-7/h1-5,15H,6,14H2.
What are the key properties of 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine?
4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 285.12 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 116735323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).