2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol

C11H13F2NO — CID 141136392

IUPAC2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol
SMILESOCCNC/C=C/c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c12-10-3-4-11(13)9(8-10)2-1-5-14-6-7-15/h1-4,8,14-15H,5-7H2/b2-1+
InChIKeyOKJRWXUXDNECED-OWOJBTEDSA-N
MW213.23 g/mol
LogP1.56
Rot. Bonds5

About 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol

2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol (PubChem CID 141136392) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol
PubChem CID141136392
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol
SMILESOCCNC/C=C/c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c12-10-3-4-11(13)9(8-10)2-1-5-14-6-7-15/h1-4,8,14-15H,5-7H2/b2-1+
InChIKeyOKJRWXUXDNECED-OWOJBTEDSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
(E)-4-(2,5-difluorophenyl)but-3-enoic acid
CID 82282110
2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
N-[4-(2,5-difluorophenyl)but-3-enyl]cyclopropanamine
CID 79590863
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine
CID 82473430
5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
CID 169453203
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
methyl 3-[3-(5-chloro-2-hydroxyphenyl)prop-2-enylamino]propanoate
CID 118875988
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol (CID 141136392) is 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol is OCCNC/C=C/c1cc(F)ccc1F.
What is the InChIKey of 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol?
The InChIKey is OKJRWXUXDNECED-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-10-3-4-11(13)9(8-10)2-1-5-14-6-7-15/h1-4,8,14-15H,5-7H2/b2-1+.
What are the key properties of 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol?
2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol has a molecular weight of 213.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 141136392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).