(2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine

C8H16F3N — CID 59409495

IUPAC(2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine
SMILESCC[C@H](NC(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-5-6(8(9,10)11)12-7(2,3)4/h6,12H,5H2,1-4H3/t6-/m0/s1
InChIKeyOICDTKDLSNTSFK-LURJTMIESA-N
MW183.22 g/mol
LogP2.72
Rot. Bonds2

About (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine

(2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine (PubChem CID 59409495) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine
PubChem CID59409495
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name(2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine
SMILESCC[C@H](NC(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-5-6(8(9,10)11)12-7(2,3)4/h6,12H,5H2,1-4H3/t6-/m0/s1
InChIKeyOICDTKDLSNTSFK-LURJTMIESA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine?
The IUPAC name of (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine (CID 59409495) is (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine.
What is the SMILES notation for (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine?
The canonical SMILES for (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine is CC[C@H](NC(C)(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine?
The InChIKey is OICDTKDLSNTSFK-LURJTMIESA-N. The full InChI is InChI=1S/C8H16F3N/c1-5-6(8(9,10)11)12-7(2,3)4/h6,12H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine?
(2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine has a molecular weight of 183.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1,1,1-trifluorobutan-2-amine is sourced from PubChem (CID 59409495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).