2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline

C12H11F2NO — CID 115977103

IUPAC2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCc1ccoc1CNc1ccc(F)cc1F
InChIInChI=1S/C12H11F2NO/c1-8-4-5-16-12(8)7-15-11-3-2-9(13)6-10(11)14/h2-6,15H,7H2,1H3
InChIKeyGKACOXCMHABIEX-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.48
Rot. Bonds3

About 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline

2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline (PubChem CID 115977103) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
PubChem CID115977103
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCc1ccoc1CNc1ccc(F)cc1F
InChIInChI=1S/C12H11F2NO/c1-8-4-5-16-12(8)7-15-11-3-2-9(13)6-10(11)14/h2-6,15H,7H2,1H3
InChIKeyGKACOXCMHABIEX-UHFFFAOYSA-N
XLogP3.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115749342
6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
CID 115749492
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113247946
tert-butyl N-[4-fluoro-3-[(3-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107241015
2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651633
1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115652761
3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242993
2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 107598583
N-[(3-methylfuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 115743532
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115652954

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline (CID 115977103) is 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline is Cc1ccoc1CNc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The InChIKey is GKACOXCMHABIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-8-4-5-16-12(8)7-15-11-3-2-9(13)6-10(11)14/h2-6,15H,7H2,1H3.
What are the key properties of 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline has a molecular weight of 223.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 115977103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).