2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline

C13H13F2NO — CID 61077155

IUPAC2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cccc(F)c2F)o1
InChIInChI=1S/C13H13F2NO/c1-8-6-7-12(17-8)9(2)16-11-5-3-4-10(14)13(11)15/h3-7,9,16H,1-2H3
InChIKeyWGAZBYYKJDITOM-UHFFFAOYSA-N
MW237.25 g/mol
LogP4.04
Rot. Bonds3

About 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline

2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline (PubChem CID 61077155) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
PubChem CID61077155
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cccc(F)c2F)o1
InChIInChI=1S/C13H13F2NO/c1-8-6-7-12(17-8)9(2)16-11-5-3-4-10(14)13(11)15/h3-7,9,16H,1-2H3
InChIKeyWGAZBYYKJDITOM-UHFFFAOYSA-N
XLogP4.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43124775
2,3-difluoro-4-[1-(5-methylfuran-2-yl)ethylamino]benzenecarbothioamide
CID 107934691
2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 43721921
2-bromo-3-fluoro-4-[1-(5-methylfuran-2-yl)ethylamino]benzoic acid
CID 107540006
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 102605008
N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
CID 43744105
N,2-dimethyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43734599
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroaniline
CID 43719162
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The IUPAC name of 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline (CID 61077155) is 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2cccc(F)c2F)o1.
What is the InChIKey of 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The InChIKey is WGAZBYYKJDITOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-8-6-7-12(17-8)9(2)16-11-5-3-4-10(14)13(11)15/h3-7,9,16H,1-2H3.
What are the key properties of 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline has a molecular weight of 237.25 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline is sourced from PubChem (CID 61077155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).