4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline

C11H9BrFNO — CID 63203814

IUPAC4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline
SMILESFc1cc(Br)ccc1NCc1ccoc1
InChIInChI=1S/C11H9BrFNO/c12-9-1-2-11(10(13)5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2
InChIKeyUKDLIMMUWGKADJ-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline

4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline (PubChem CID 63203814) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline
PubChem CID63203814
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline
SMILESFc1cc(Br)ccc1NCc1ccoc1
InChIInChI=1S/C11H9BrFNO/c12-9-1-2-11(10(13)5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2
InChIKeyUKDLIMMUWGKADJ-UHFFFAOYSA-N
XLogP3.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(3,4-dibromophenyl)methyl]-2-fluoroaniline
CID 113483233
4-bromo-3-fluoro-N-(furan-3-ylmethyl)aniline
CID 65435326
4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
CID 28932268
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
4-[(4-bromo-2-fluoroanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202495
1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130588833
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-fluoroaniline
CID 102830284
N-[(4-bromophenyl)methyl]-2,4,5-trifluoroaniline
CID 62815003

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline (CID 63203814) is 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline is Fc1cc(Br)ccc1NCc1ccoc1.
What is the InChIKey of 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline?
The InChIKey is UKDLIMMUWGKADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-9-1-2-11(10(13)5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2.
What are the key properties of 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline?
4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline has a molecular weight of 270.10 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline is sourced from PubChem (CID 63203814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).