2,3,4-trifluoro-N-(2-methylidenebutyl)aniline

C11H12F3N — CID 66045918

IUPAC2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c1-3-7(2)6-15-9-5-4-8(12)10(13)11(9)14/h4-5,15H,2-3,6H2,1H3
InChIKeyPMIOKLKXOMNHDK-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.48
Rot. Bonds4

About 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline

2,3,4-trifluoro-N-(2-methylidenebutyl)aniline (PubChem CID 66045918) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
PubChem CID66045918
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c1-3-7(2)6-15-9-5-4-8(12)10(13)11(9)14/h4-5,15H,2-3,6H2,1H3
InChIKeyPMIOKLKXOMNHDK-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(2-methylidenebutyl)aniline
CID 66045919
2-fluoro-N-(2-methylidenebutyl)aniline
CID 66045449
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
N,N-dipropyl-2-(2,3,4-trifluoroanilino)acetamide
CID 109006692
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
1-(2,3,4-trifluoroanilino)propan-1-ol
CID 151840381
2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
CID 126987109
3-(2,3,4-trifluoroanilino)propan-1-ol
CID 19609283
N-[2-(dimethylamino)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 108994740
ethyl 4-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzoate
CID 30717065
ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663
2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 86792649

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline (CID 66045918) is 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline is C=C(CC)CNc1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline?
The InChIKey is PMIOKLKXOMNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-3-7(2)6-15-9-5-4-8(12)10(13)11(9)14/h4-5,15H,2-3,6H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline?
2,3,4-trifluoro-N-(2-methylidenebutyl)aniline has a molecular weight of 215.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-methylidenebutyl)aniline is sourced from PubChem (CID 66045918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).