N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline

C13H16F3N — CID 113489683

IUPACN-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline
SMILESCC(CC1CCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3N/c1-8(7-9-3-2-4-9)17-11-6-5-10(14)12(15)13(11)16/h5-6,8-9,17H,2-4,7H2,1H3
InChIKeyQFJOHYABDKATBX-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.09
Rot. Bonds4

About N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline

N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline (PubChem CID 113489683) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline.

Molecular Properties

Compound NameN-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline
PubChem CID113489683
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline
SMILESCC(CC1CCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3N/c1-8(7-9-3-2-4-9)17-11-6-5-10(14)12(15)13(11)16/h5-6,8-9,17H,2-4,7H2,1H3
InChIKeyQFJOHYABDKATBX-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.09
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

N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline
CID 107643836
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
N-(1-cyclobutylpropan-2-yl)naphthalen-1-amine
CID 113489674
2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline
CID 113489744
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
CID 115922487
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline
CID 43560276
N-(1-cyclobutylpropan-2-yl)-4-methyl-2-nitroaniline
CID 113489778
2-(1-cyclopropylpropan-2-ylamino)-6-fluorobenzoic acid
CID 79511640
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline
CID 43759530
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline?
The IUPAC name of N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline (CID 113489683) is N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline.
What is the SMILES notation for N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline?
The canonical SMILES for N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline is CC(CC1CCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline?
The InChIKey is QFJOHYABDKATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8(7-9-3-2-4-9)17-11-6-5-10(14)12(15)13(11)16/h5-6,8-9,17H,2-4,7H2,1H3.
What are the key properties of N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline?
N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline has a molecular weight of 243.27 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline is sourced from PubChem (CID 113489683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).