(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine

C11H11F4N — CID 163513137

IUPAC(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine
SMILESNC/C=C\Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4N/c12-10-6-8(3-1-2-4-16)5-9(7-10)11(13,14)15/h1-2,5-7H,3-4,16H2/b2-1-
InChIKeyDEKBZXLRWBNLKB-UPHRSURJSA-N
MW233.21 g/mol
LogP2.90
Rot. Bonds3

About (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine

(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine (PubChem CID 163513137) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine
PubChem CID163513137
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine
SMILESNC/C=C\Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4N/c12-10-6-8(3-1-2-4-16)5-9(7-10)11(13,14)15/h1-2,5-7H,3-4,16H2/b2-1-
InChIKeyDEKBZXLRWBNLKB-UPHRSURJSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 115350765
(Z)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]but-2-en-1-amine
CID 70986965
ethyl (Z)-2-fluoro-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-enoate
CID 66983020
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
CID 91657147
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride
CID 115351227
3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
CID 53434405
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
(2S)-2-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79016437
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine
CID 173495553
[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114393433

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine?
The IUPAC name of (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine (CID 163513137) is (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine?
The canonical SMILES for (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine is NC/C=C\Cc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine?
The InChIKey is DEKBZXLRWBNLKB-UPHRSURJSA-N. The full InChI is InChI=1S/C11H11F4N/c12-10-6-8(3-1-2-4-16)5-9(7-10)11(13,14)15/h1-2,5-7H,3-4,16H2/b2-1-.
What are the key properties of (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine?
(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine has a molecular weight of 233.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine is sourced from PubChem (CID 163513137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).