2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol

C10H11ClFNO — CID 117307304

IUPAC2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol
SMILESCc1c(Cl)cc(F)c(O)c1/C=C/CN
InChIInChI=1S/C10H11ClFNO/c1-6-7(3-2-4-13)10(14)9(12)5-8(6)11/h2-3,5,14H,4,13H2,1H3/b3-2+
InChIKeyKWXJVDNWRAELQB-NSCUHMNNSA-N
MW215.66 g/mol
LogP2.47
Rot. Bonds2

About 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol

2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol (PubChem CID 117307304) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol
PubChem CID117307304
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol
SMILESCc1c(Cl)cc(F)c(O)c1/C=C/CN
InChIInChI=1S/C10H11ClFNO/c1-6-7(3-2-4-13)10(14)9(12)5-8(6)11/h2-3,5,14H,4,13H2,1H3/b3-2+
InChIKeyKWXJVDNWRAELQB-NSCUHMNNSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
CID 117278700
2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol
CID 117306260
6-[(E)-3-aminoprop-1-enyl]-5-chlorobenzene-1,2,4-triol
CID 117307221
2-(4-aminobutyl)-4-chloro-6-fluoro-3-methylphenol
CID 117335570
3-[(E)-3-aminoprop-1-enyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117441578
2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol
CID 117290378
2-[(E)-3-aminoprop-1-enyl]-6-bromo-3,4-difluorophenol
CID 117414280
2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol
CID 90809969
(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
CID 117279410
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
CID 131272725
(E)-3-(3-chloro-2,4,6-trifluorophenyl)prop-2-en-1-amine
CID 117317236
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
CID 117310420

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol (CID 117307304) is 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol is Cc1c(Cl)cc(F)c(O)c1/C=C/CN.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol?
The InChIKey is KWXJVDNWRAELQB-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-6-7(3-2-4-13)10(14)9(12)5-8(6)11/h2-3,5,14H,4,13H2,1H3/b3-2+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol?
2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol has a molecular weight of 215.66 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol is sourced from PubChem (CID 117307304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).