4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline

C15H12F3NO — CID 59838870

IUPAC4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)20-14-9-5-12(6-10-14)2-1-11-3-7-13(19)8-4-11/h1-10H,19H2/b2-1+
InChIKeyBSAQUMKIOXTJRQ-OWOJBTEDSA-N
MW279.26 g/mol
LogP4.34
Rot. Bonds3

About 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline

4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline (PubChem CID 59838870) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
PubChem CID59838870
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)20-14-9-5-12(6-10-14)2-1-11-3-7-13(19)8-4-11/h1-10H,19H2/b2-1+
InChIKeyBSAQUMKIOXTJRQ-OWOJBTEDSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
formohydrazide;4-(trifluoromethoxy)aniline
CID 175142236
(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 122129912
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
N,N-bis[4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]aniline
CID 143481047
(E)-4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 87333465
4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 90952053
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
CID 141125841

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline (CID 59838870) is 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline is Nc1ccc(/C=C/c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline?
The InChIKey is BSAQUMKIOXTJRQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)20-14-9-5-12(6-10-14)2-1-11-3-7-13(19)8-4-11/h1-10H,19H2/b2-1+.
What are the key properties of 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline?
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline has a molecular weight of 279.26 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline is sourced from PubChem (CID 59838870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).