1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone

C14H14F3NO — CID 145023942

IUPAC1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone
SMILESC=C(/N=C(\CC)C(F)(F)F)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H14F3NO/c1-4-13(14(15,16)17)18-9(2)11-5-7-12(8-6-11)10(3)19/h5-8H,2,4H2,1,3H3/b18-13+
InChIKeyFJKMCZAYQGAFAI-QGOAFFKASA-N
MW269.27 g/mol
LogP4.27
Rot. Bonds4

About 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone

1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone (PubChem CID 145023942) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone
PubChem CID145023942
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone
SMILESC=C(/N=C(\CC)C(F)(F)F)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H14F3NO/c1-4-13(14(15,16)17)18-9(2)11-5-7-12(8-6-11)10(3)19/h5-8H,2,4H2,1,3H3/b18-13+
InChIKeyFJKMCZAYQGAFAI-QGOAFFKASA-N
XLogP4.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone (CID 145023942) is 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone is C=C(/N=C(\CC)C(F)(F)F)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone?
The InChIKey is FJKMCZAYQGAFAI-QGOAFFKASA-N. The full InChI is InChI=1S/C14H14F3NO/c1-4-13(14(15,16)17)18-9(2)11-5-7-12(8-6-11)10(3)19/h5-8H,2,4H2,1,3H3/b18-13+.
What are the key properties of 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone?
1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone has a molecular weight of 269.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1,1,1-trifluorobutan-2-ylideneamino)ethenyl]phenyl]ethanone is sourced from PubChem (CID 145023942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).