2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol

C10H11F2NO2 — CID 117306260

IUPAC2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(F)c(O)c1/C=C/CN
InChIInChI=1S/C10H11F2NO2/c1-15-10-6(3-2-4-13)9(14)7(11)5-8(10)12/h2-3,5,14H,4,13H2,1H3/b3-2+
InChIKeyAJMCUUXODSWFSK-NSCUHMNNSA-N
MW215.20 g/mol
LogP1.65
Rot. Bonds3

About 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol

2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol (PubChem CID 117306260) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol
PubChem CID117306260
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(F)c(O)c1/C=C/CN
InChIInChI=1S/C10H11F2NO2/c1-15-10-6(3-2-4-13)9(14)7(11)5-8(10)12/h2-3,5,14H,4,13H2,1H3/b3-2+
InChIKeyAJMCUUXODSWFSK-NSCUHMNNSA-N
XLogP1.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-3-aminoprop-1-enyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117441578
4-[(E)-3-aminoprop-1-enyl]-3-bromo-5-fluoro-2-methoxyphenol
CID 117441571
2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol
CID 117307304
(E)-3-(3-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354
2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
CID 117278700
(E)-3-(2,6-difluoro-3,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117330030
4-amino-2,6-difluoro-3-methoxyphenol
CID 84766766
methyl 5-[(E)-3-aminoprop-1-enyl]-3-fluoro-2-methoxybenzoate
CID 117350271
(E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine
CID 117333667
2-[(E)-3-aminoprop-1-enyl]-6-bromo-3,4-difluorophenol
CID 117414280
5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
CID 117286690
6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol
CID 117432734

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol (CID 117306260) is 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol is COc1c(F)cc(F)c(O)c1/C=C/CN.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol?
The InChIKey is AJMCUUXODSWFSK-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-10-6(3-2-4-13)9(14)7(11)5-8(10)12/h2-3,5,14H,4,13H2,1H3/b3-2+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol?
2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol has a molecular weight of 215.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol is sourced from PubChem (CID 117306260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).