1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine

C7H14F3N — CID 59790363

IUPAC1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine
SMILESCC(C)C(N(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)6(11(3)4)7(8,9)10/h5-6H,1-4H3
InChIKeyLFXACVIMTWKSPZ-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.13
Rot. Bonds2

About 1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine

1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine (PubChem CID 59790363) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine
PubChem CID59790363
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine
SMILESCC(C)C(N(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)6(11(3)4)7(8,9)10/h5-6H,1-4H3
InChIKeyLFXACVIMTWKSPZ-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.13
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,3-trimethylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine (CID 59790363) is 1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine is CC(C)C(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine?
The InChIKey is LFXACVIMTWKSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-5(2)6(11(3)4)7(8,9)10/h5-6H,1-4H3.
What are the key properties of 1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine?
1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.13, 2 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,3-trimethylbutan-2-amine is sourced from PubChem (CID 59790363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).