4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline

C12H10BrF2NO — CID 65467932

IUPAC4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
SMILESCC(Nc1c(F)cc(Br)cc1F)c1ccco1
InChIInChI=1S/C12H10BrF2NO/c1-7(11-3-2-4-17-11)16-12-9(14)5-8(13)6-10(12)15/h2-7,16H,1H3
InChIKeyIGSKUDRNSQLVKC-UHFFFAOYSA-N
MW302.12 g/mol
LogP4.49
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline

4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline (PubChem CID 65467932) has the molecular formula C12H10BrF2NO and a molecular weight of 302.12 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
PubChem CID65467932
Molecular FormulaC12H10BrF2NO
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Name4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
SMILESCC(Nc1c(F)cc(Br)cc1F)c1ccco1
InChIInChI=1S/C12H10BrF2NO/c1-7(11-3-2-4-17-11)16-12-9(14)5-8(13)6-10(12)15/h2-7,16H,1H3
InChIKeyIGSKUDRNSQLVKC-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403419
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403303
3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
CID 82858224
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 107101788
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 65469865
6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine
CID 43621334
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81437435
4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
CID 66101255
4-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-difluoroaniline
CID 65469266
1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
CID 138669092

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline (CID 65467932) is 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline is CC(Nc1c(F)cc(Br)cc1F)c1ccco1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline?
The InChIKey is IGSKUDRNSQLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO/c1-7(11-3-2-4-17-11)16-12-9(14)5-8(13)6-10(12)15/h2-7,16H,1H3.
What are the key properties of 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline?
4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline has a molecular weight of 302.12 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline is sourced from PubChem (CID 65467932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).