2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline

C15H16FNO — CID 2941224

IUPAC2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
SMILESC=C(C)CC(Nc1ccccc1F)c1ccco1
InChIInChI=1S/C15H16FNO/c1-11(2)10-14(15-8-5-9-18-15)17-13-7-4-3-6-12(13)16/h3-9,14,17H,1,10H2,2H3
InChIKeyLUQNNDRCSJVGOA-UHFFFAOYSA-N
MW245.30 g/mol
LogP4.54
Rot. Bonds5

About 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline

2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline (PubChem CID 2941224) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
PubChem CID2941224
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
SMILESC=C(C)CC(Nc1ccccc1F)c1ccco1
InChIInChI=1S/C15H16FNO/c1-11(2)10-14(15-8-5-9-18-15)17-13-7-4-3-6-12(13)16/h3-9,14,17H,1,10H2,2H3
InChIKeyLUQNNDRCSJVGOA-UHFFFAOYSA-N
XLogP4.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 131000468
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-[2-[1-(furan-2-yl)propylamino]phenyl]acetamide
CID 62632896
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
CID 105246729
2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
CID 62631784
1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466709
2-fluoro-N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62631841

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline?
The IUPAC name of 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline (CID 2941224) is 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline.
What is the SMILES notation for 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline?
The canonical SMILES for 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline is C=C(C)CC(Nc1ccccc1F)c1ccco1.
What is the InChIKey of 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline?
The InChIKey is LUQNNDRCSJVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(2)10-14(15-8-5-9-18-15)17-13-7-4-3-6-12(13)16/h3-9,14,17H,1,10H2,2H3.
What are the key properties of 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline?
2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline is sourced from PubChem (CID 2941224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).