N-butan-2-yl-2,3,5,6-tetrafluoroaniline

C10H11F4N — CID 107644089

IUPACN-butan-2-yl-2,3,5,6-tetrafluoroaniline
SMILESCCC(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H11F4N/c1-3-5(2)15-10-8(13)6(11)4-7(12)9(10)14/h4-5,15H,3H2,1-2H3
InChIKeyXFQCHFRSMYWIJY-UHFFFAOYSA-N
MW221.20 g/mol
LogP3.45
Rot. Bonds3

About N-butan-2-yl-2,3,5,6-tetrafluoroaniline

N-butan-2-yl-2,3,5,6-tetrafluoroaniline (PubChem CID 107644089) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is N-butan-2-yl-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-butan-2-yl-2,3,5,6-tetrafluoroaniline
PubChem CID107644089
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC NameN-butan-2-yl-2,3,5,6-tetrafluoroaniline
SMILESCCC(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H11F4N/c1-3-5(2)15-10-8(13)6(11)4-7(12)9(10)14/h4-5,15H,3H2,1-2H3
InChIKeyXFQCHFRSMYWIJY-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.45
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-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine
CID 107643986
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline
CID 107643836
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
N-butan-2-yl-3,5-difluoroaniline
CID 43196032
2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
CID 107643968
2,3,5,6-tetrafluoro-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 107643869
2-N-butan-2-yl-4-chloro-3-fluorobenzene-1,2-diamine
CID 130507281
N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]butan-2-amine
CID 103290342
1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine
CID 87460375
N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644485
3-N-butan-2-yl-4-fluorobenzene-1,3-diamine
CID 79677016

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-butan-2-yl-2,3,5,6-tetrafluoroaniline (CID 107644089) is N-butan-2-yl-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-butan-2-yl-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-butan-2-yl-2,3,5,6-tetrafluoroaniline is CCC(C)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-butan-2-yl-2,3,5,6-tetrafluoroaniline?
The InChIKey is XFQCHFRSMYWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-3-5(2)15-10-8(13)6(11)4-7(12)9(10)14/h4-5,15H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-2,3,5,6-tetrafluoroaniline?
N-butan-2-yl-2,3,5,6-tetrafluoroaniline has a molecular weight of 221.20 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107644089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).