3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

C9H16F3N — CID 115892372

IUPAC3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCC1CC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-6-3-8(4-6)13-7(2)5-9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyHMGUCUHYAQVBMC-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds3

About 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (PubChem CID 115892372) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
PubChem CID115892372
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCC1CC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-6-3-8(4-6)13-7(2)5-9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyHMGUCUHYAQVBMC-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (CID 115892372) is 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is CC1CC(NC(C)CC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The InChIKey is HMGUCUHYAQVBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6-3-8(4-6)13-7(2)5-9(10,11)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 115892372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).