3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline

C10H10F5N — CID 115513493

IUPAC3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline
SMILESFc1cc(F)cc(NCCCC(F)(F)F)c1
InChIInChI=1S/C10H10F5N/c11-7-4-8(12)6-9(5-7)16-3-1-2-10(13,14)15/h4-6,16H,1-3H2
InChIKeyCZTDMOQFKZZXRV-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.72
Rot. Bonds4

About 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline

3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline (PubChem CID 115513493) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline
PubChem CID115513493
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline
SMILESFc1cc(F)cc(NCCCC(F)(F)F)c1
InChIInChI=1S/C10H10F5N/c11-7-4-8(12)6-9(5-7)16-3-1-2-10(13,14)15/h4-6,16H,1-3H2
InChIKeyCZTDMOQFKZZXRV-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-N-(4,4,4-trifluorobutyl)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

3-fluoro-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513789
3-bromo-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 107583136
2,3,4,5,6-pentafluoro-N-(4,4,4-trifluorobutyl)aniline
CID 115520487
4-chloro-3-fluoro-N-(4,4,4-trifluorobutyl)aniline
CID 115513611
3-fluoro-5-(3,3,3-trifluoropropylamino)benzonitrile
CID 70982475
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
N'-(3,5-difluorophenyl)ethane-1,2-diamine
CID 11116511
3-bromo-N-(4,4,4-trifluorobutyl)aniline
CID 115513477
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)aniline
CID 64555020
4-(3,5-difluoroanilino)butanoic acid
CID 18072381
3,5-difluoro-4-(4,4,4-trifluorobutylamino)benzonitrile
CID 79040621
4-phenyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513665

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline?
The IUPAC name of 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline (CID 115513493) is 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline is Fc1cc(F)cc(NCCCC(F)(F)F)c1.
What is the InChIKey of 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline?
The InChIKey is CZTDMOQFKZZXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c11-7-4-8(12)6-9(5-7)16-3-1-2-10(13,14)15/h4-6,16H,1-3H2.
What are the key properties of 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline?
3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline has a molecular weight of 239.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline is sourced from PubChem (CID 115513493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).