2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline

C12H16F3N — CID 43759530

IUPAC2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1ccc(F)c(F)c1F)C(C)C
InChIInChI=1S/C12H16F3N/c1-4-9(7(2)3)16-10-6-5-8(13)11(14)12(10)15/h5-7,9,16H,4H2,1-3H3
InChIKeyMIAMZKNPJKLHCY-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.95
Rot. Bonds4

About 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline

2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline (PubChem CID 43759530) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline
PubChem CID43759530
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1ccc(F)c(F)c1F)C(C)C
InChIInChI=1S/C12H16F3N/c1-4-9(7(2)3)16-10-6-5-8(13)11(14)12(10)15/h5-7,9,16H,4H2,1-3H3
InChIKeyMIAMZKNPJKLHCY-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.95
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

1-(2,3,4-trifluoroanilino)propan-1-ol
CID 151840381
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
CID 93283017
2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline
CID 43095586
3-fluoro-1-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469418
2-fluoro-N-(2-methylpentan-3-yl)-4-nitroaniline
CID 61472864
2-fluoro-6-(2-methylpentan-3-ylamino)benzonitrile
CID 43778303
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
4-chloro-N-(2-methylpentan-3-yl)-2-nitroaniline
CID 43781661
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43759509
N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline
CID 113489683
2-[4-(aminomethyl)-2,3-difluoroanilino]-3-methylbutan-1-ol
CID 114017625

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline (CID 43759530) is 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline is CCC(Nc1ccc(F)c(F)c1F)C(C)C.
What is the InChIKey of 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline?
The InChIKey is MIAMZKNPJKLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-4-9(7(2)3)16-10-6-5-8(13)11(14)12(10)15/h5-7,9,16H,4H2,1-3H3.
What are the key properties of 2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline?
2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline has a molecular weight of 231.26 g/mol, XLogP of 3.95, 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-methylpentan-3-yl)aniline is sourced from PubChem (CID 43759530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).