N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline

C13H15F4N — CID 107643836

IUPACN-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline
SMILESCC(CC1CCC1)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H15F4N/c1-7(5-8-3-2-4-8)18-13-11(16)9(14)6-10(15)12(13)17/h6-8,18H,2-5H2,1H3
InChIKeyYFQLWDIDKABZME-UHFFFAOYSA-N
MW261.26 g/mol
LogP4.23
Rot. Bonds4

About N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline

N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline (PubChem CID 107643836) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline
PubChem CID107643836
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC NameN-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline
SMILESCC(CC1CCC1)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H15F4N/c1-7(5-8-3-2-4-8)18-13-11(16)9(14)6-10(15)12(13)17/h6-8,18H,2-5H2,1H3
InChIKeyYFQLWDIDKABZME-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline (CID 107643836) is N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline is CC(CC1CCC1)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline?
The InChIKey is YFQLWDIDKABZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c1-7(5-8-3-2-4-8)18-13-11(16)9(14)6-10(15)12(13)17/h6-8,18H,2-5H2,1H3.
What are the key properties of N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline?
N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline has a molecular weight of 261.26 g/mol, XLogP of 4.23, 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)-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107643836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).