3,4,5-trifluoro-N-(2-methylpropyl)aniline

C10H12F3N — CID 62809579

IUPAC3,4,5-trifluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H12F3N/c1-6(2)5-14-7-3-8(11)10(13)9(12)4-7/h3-4,6,14H,5H2,1-2H3
InChIKeyBCWCPCDEMYIGID-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.17
Rot. Bonds3

About 3,4,5-trifluoro-N-(2-methylpropyl)aniline

3,4,5-trifluoro-N-(2-methylpropyl)aniline (PubChem CID 62809579) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-methylpropyl)aniline
PubChem CID62809579
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3,4,5-trifluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H12F3N/c1-6(2)5-14-7-3-8(11)10(13)9(12)4-7/h3-4,6,14H,5H2,1-2H3
InChIKeyBCWCPCDEMYIGID-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_2', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
3,4,5-trifluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 116501289
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
2,3,5-trifluoro-N-(2-methylpropyl)aniline
CID 62811497
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
3,5-dibromo-N-(2-methylpropyl)aniline
CID 154120132
1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810463
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 82504640
5-fluoro-N-(2-methylpropyl)pyridin-3-amine
CID 130485397
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525
3-hydroxy-4-(3,4,5-trifluoroanilino)butanoic acid
CID 103249545
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-methylpropyl)aniline?
The IUPAC name of 3,4,5-trifluoro-N-(2-methylpropyl)aniline (CID 62809579) is 3,4,5-trifluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for 3,4,5-trifluoro-N-(2-methylpropyl)aniline is CC(C)CNc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-methylpropyl)aniline?
The InChIKey is BCWCPCDEMYIGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6(2)5-14-7-3-8(11)10(13)9(12)4-7/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 3,4,5-trifluoro-N-(2-methylpropyl)aniline?
3,4,5-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 3,4,5-trifluoro-N-(2-methylpropyl)aniline is sourced from PubChem (CID 62809579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).