2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline

C13H13F2NO — CID 63085318

IUPAC2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
SMILESCC(Cc1ccco1)Nc1cccc(F)c1F
InChIInChI=1S/C13H13F2NO/c1-9(8-10-4-3-7-17-10)16-12-6-2-5-11(14)13(12)15/h2-7,9,16H,8H2,1H3
InChIKeyZGLJQVNUUQWPNR-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.60
Rot. Bonds4

About 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline

2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline (PubChem CID 63085318) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
PubChem CID63085318
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
SMILESCC(Cc1ccco1)Nc1cccc(F)c1F
InChIInChI=1S/C13H13F2NO/c1-9(8-10-4-3-7-17-10)16-12-6-2-5-11(14)13(12)15/h2-7,9,16H,8H2,1H3
InChIKeyZGLJQVNUUQWPNR-UHFFFAOYSA-N
XLogP3.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
CID 54968206
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
2,3-difluoro-N-pentan-2-ylaniline
CID 61074639
4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63083935
[1-(2,3-difluorophenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331593
N-[1-(furan-2-yl)propan-2-yl]-1H-indazol-4-amine
CID 63086017
N-[1-(furan-2-yl)propan-2-yl]-2-prop-2-enylsulfanylaniline
CID 63086016

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline?
The IUPAC name of 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline (CID 63085318) is 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline?
The canonical SMILES for 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline is CC(Cc1ccco1)Nc1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline?
The InChIKey is ZGLJQVNUUQWPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-9(8-10-4-3-7-17-10)16-12-6-2-5-11(14)13(12)15/h2-7,9,16H,8H2,1H3.
What are the key properties of 2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline?
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline has a molecular weight of 237.25 g/mol, XLogP of 3.60, 4 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-(furan-2-yl)propan-2-yl]aniline is sourced from PubChem (CID 63085318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).