4-(4-aminobut-1-enyl)-2,3-difluorophenol

C10H11F2NO — CID 170486884

IUPAC4-(4-aminobut-1-enyl)-2,3-difluorophenol
SMILESNCCC=Cc1ccc(O)c(F)c1F
InChIInChI=1S/C10H11F2NO/c11-9-7(3-1-2-6-13)4-5-8(14)10(9)12/h1,3-5,14H,2,6,13H2
InChIKeyGRZYWOGFVFJBIE-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.03
Rot. Bonds3

About 4-(4-aminobut-1-enyl)-2,3-difluorophenol

4-(4-aminobut-1-enyl)-2,3-difluorophenol (PubChem CID 170486884) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 4-(4-aminobut-1-enyl)-2,3-difluorophenol.

Molecular Properties

Compound Name4-(4-aminobut-1-enyl)-2,3-difluorophenol
PubChem CID170486884
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name4-(4-aminobut-1-enyl)-2,3-difluorophenol
SMILESNCCC=Cc1ccc(O)c(F)c1F
InChIInChI=1S/C10H11F2NO/c11-9-7(3-1-2-6-13)4-5-8(14)10(9)12/h1,3-5,14H,2,6,13H2
InChIKeyGRZYWOGFVFJBIE-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-aminobut-1-enyl)benzene-1,3-diol
CID 170486543
4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
CID 170486516
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
4-(2,4,5-trifluorophenyl)but-3-en-1-amine
CID 170486760
4-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487411
3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde
CID 170486802
5-fluoro-2-(4-sulfanylbut-1-enyl)phenol
CID 170477900
2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde
CID 170486809
1-[2-(4-aminobut-1-enyl)-5-fluorophenyl]ethanone
CID 170487221
2-fluoro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495366
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
(E)-3-(3-bromo-2,4-difluorophenyl)prop-2-en-1-amine
CID 117372632

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobut-1-enyl)-2,3-difluorophenol?
The IUPAC name of 4-(4-aminobut-1-enyl)-2,3-difluorophenol (CID 170486884) is 4-(4-aminobut-1-enyl)-2,3-difluorophenol.
What is the SMILES notation for 4-(4-aminobut-1-enyl)-2,3-difluorophenol?
The canonical SMILES for 4-(4-aminobut-1-enyl)-2,3-difluorophenol is NCCC=Cc1ccc(O)c(F)c1F.
What is the InChIKey of 4-(4-aminobut-1-enyl)-2,3-difluorophenol?
The InChIKey is GRZYWOGFVFJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-9-7(3-1-2-6-13)4-5-8(14)10(9)12/h1,3-5,14H,2,6,13H2.
What are the key properties of 4-(4-aminobut-1-enyl)-2,3-difluorophenol?
4-(4-aminobut-1-enyl)-2,3-difluorophenol has a molecular weight of 199.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobut-1-enyl)-2,3-difluorophenol is sourced from PubChem (CID 170486884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).