(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol

C10H11F2NO — CID 142242491

IUPAC(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol
SMILESNC/C(O)=C\Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO/c11-8-3-7(4-9(12)5-8)1-2-10(14)6-13/h2-5,14H,1,6,13H2/b10-2+
InChIKeyASIUTEHYZYMMNT-WTDSWWLTSA-N
MW199.20 g/mol
LogP1.91
Rot. Bonds3

About (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol

(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol (PubChem CID 142242491) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol.

Molecular Properties

Compound Name(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol
PubChem CID142242491
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol
SMILESNC/C(O)=C\Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO/c11-8-3-7(4-9(12)5-8)1-2-10(14)6-13/h2-5,14H,1,6,13H2/b10-2+
InChIKeyASIUTEHYZYMMNT-WTDSWWLTSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine
CID 25013451
(1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine
CID 142149083
(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine
CID 105411233
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
ethyl (Z)-2-fluoro-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-enoate
CID 66983020
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine
CID 163513137
3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 83808870
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
[3-(aminomethyl)-5-fluorophenoxy]boronic acid
CID 151788480

Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol?
The IUPAC name of (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol (CID 142242491) is (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol.
What is the SMILES notation for (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol?
The canonical SMILES for (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol is NC/C(O)=C\Cc1cc(F)cc(F)c1.
What is the InChIKey of (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol?
The InChIKey is ASIUTEHYZYMMNT-WTDSWWLTSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-3-7(4-9(12)5-8)1-2-10(14)6-13/h2-5,14H,1,6,13H2/b10-2+.
What are the key properties of (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol?
(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol has a molecular weight of 199.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol is sourced from PubChem (CID 142242491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).