N-tert-butyl-4,4,4-trifluorobutan-1-amine

C8H16F3N — CID 64565956

IUPACN-tert-butyl-4,4,4-trifluorobutan-1-amine
SMILESCC(C)(C)NCCCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-7(2,3)12-6-4-5-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyTXVYKKSQCMFYNT-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.72
Rot. Bonds3

About N-tert-butyl-4,4,4-trifluorobutan-1-amine

N-tert-butyl-4,4,4-trifluorobutan-1-amine (PubChem CID 64565956) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N-tert-butyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4,4-trifluorobutan-1-amine
PubChem CID64565956
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN-tert-butyl-4,4,4-trifluorobutan-1-amine
SMILESCC(C)(C)NCCCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-7(2,3)12-6-4-5-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyTXVYKKSQCMFYNT-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-tert-butyl-4,4,4-trifluorobutan-1-amine (CID 64565956) is N-tert-butyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-tert-butyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-tert-butyl-4,4,4-trifluorobutan-1-amine is CC(C)(C)NCCCC(F)(F)F.
What is the InChIKey of N-tert-butyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is TXVYKKSQCMFYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-7(2,3)12-6-4-5-8(9,10)11/h12H,4-6H2,1-3H3.
What are the key properties of N-tert-butyl-4,4,4-trifluorobutan-1-amine?
N-tert-butyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 183.22 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 N-tert-butyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64565956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).