1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine

C8H16F3N — CID 90999431

IUPAC1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
SMILESCC(C)CC(N(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-6(2)5-7(12(3)4)8(9,10)11/h6-7H,5H2,1-4H3
InChIKeyABOBHYPMCJZKPX-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.53
Rot. Bonds3

About 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine

1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine (PubChem CID 90999431) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
PubChem CID90999431
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
SMILESCC(C)CC(N(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-6(2)5-7(12(3)4)8(9,10)11/h6-7H,5H2,1-4H3
InChIKeyABOBHYPMCJZKPX-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine (CID 90999431) is 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine is CC(C)CC(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
The InChIKey is ABOBHYPMCJZKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-6(2)5-7(12(3)4)8(9,10)11/h6-7H,5H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine has a molecular weight of 183.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine is sourced from PubChem (CID 90999431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).