N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline

C10H7F4N — CID 176544530

IUPACN-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline
SMILESFC(=C=CNc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F4N/c11-9(10(12,13)14)6-7-15-8-4-2-1-3-5-8/h1-5,7,15H
InChIKeyYNCADIUWWYJMGZ-UHFFFAOYSA-N
MW217.17 g/mol
LogP3.63
Rot. Bonds2

About N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline

N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline (PubChem CID 176544530) has the molecular formula C10H7F4N and a molecular weight of 217.17 g/mol. Its IUPAC name is N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline.

Molecular Properties

Compound NameN-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline
PubChem CID176544530
Molecular FormulaC10H7F4N
Molecular Weight217.17 g/mol
Exact Mass217.05
IUPAC NameN-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline
SMILESFC(=C=CNc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F4N/c11-9(10(12,13)14)6-7-15-8-4-2-1-3-5-8/h1-5,7,15H
InChIKeyYNCADIUWWYJMGZ-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilinoethenone
CID 22073424
N-(3-phenylpropa-1,2-dienyl)aniline
CID 176540019
2-anilinoethenol
CID 154058037
phenylhydrazine;bis(2,2,2-trifluoroacetic acid)
CID 162301576
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
CID 640491
N-(2,2,2-trifluoroethyl)aniline
CID 9596
(Z)-3-anilino-2-methylprop-2-enal
CID 19787661
boric acid;tris(N-(trifluoromethyl)aniline)
CID 175092483
N-(2-bromo-2,2-difluoroethyl)aniline
CID 130551729
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
benzene;bis(N-prop-1-enylaniline)
CID 70363490
1,1-difluoroethene;N-phenylaniline
CID 175173437

Frequently Asked Questions

What is the IUPAC name of N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline?
The IUPAC name of N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline (CID 176544530) is N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline.
What is the SMILES notation for N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline?
The canonical SMILES for N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline is FC(=C=CNc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline?
The InChIKey is YNCADIUWWYJMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N/c11-9(10(12,13)14)6-7-15-8-4-2-1-3-5-8/h1-5,7,15H.
What are the key properties of N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline?
N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline has a molecular weight of 217.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline is sourced from PubChem (CID 176544530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).