2,3,5-trifluoro-N-(2-methylpropyl)aniline

C10H12F3N — CID 62811497

IUPAC2,3,5-trifluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cc(F)cc(F)c1F
InChIInChI=1S/C10H12F3N/c1-6(2)5-14-9-4-7(11)3-8(12)10(9)13/h3-4,6,14H,5H2,1-2H3
InChIKeyBDIJJMXCAGFCBE-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.17
Rot. Bonds3

About 2,3,5-trifluoro-N-(2-methylpropyl)aniline

2,3,5-trifluoro-N-(2-methylpropyl)aniline (PubChem CID 62811497) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-(2-methylpropyl)aniline
PubChem CID62811497
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2,3,5-trifluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cc(F)cc(F)c1F
InChIInChI=1S/C10H12F3N/c1-6(2)5-14-9-4-7(11)3-8(12)10(9)13/h3-4,6,14H,5H2,1-2H3
InChIKeyBDIJJMXCAGFCBE-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
CID 62810259
3,4,5-trifluoro-N-(2-methylpropyl)aniline
CID 62809579
2-(2,3,5-trifluoroanilino)acetonitrile
CID 62810613
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine
CID 62809389
2,3,5-trifluoro-N-tri(propan-2-yl)silylaniline
CID 141042498
2,3,5-trifluoro-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 62811459
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
CID 114493086
2,3,5-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64772172
2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine
CID 62812620

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-(2-methylpropyl)aniline?
The IUPAC name of 2,3,5-trifluoro-N-(2-methylpropyl)aniline (CID 62811497) is 2,3,5-trifluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for 2,3,5-trifluoro-N-(2-methylpropyl)aniline is CC(C)CNc1cc(F)cc(F)c1F.
What is the InChIKey of 2,3,5-trifluoro-N-(2-methylpropyl)aniline?
The InChIKey is BDIJJMXCAGFCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6(2)5-14-9-4-7(11)3-8(12)10(9)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 2,3,5-trifluoro-N-(2-methylpropyl)aniline?
2,3,5-trifluoro-N-(2-methylpropyl)aniline has a molecular weight of 203.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-(2-methylpropyl)aniline is sourced from PubChem (CID 62811497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).