3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine

C7H14F3N — CID 137444396

IUPAC3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)CCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-6(2)11(3)5-4-7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyOJWSYQAYJDILPG-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.28
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine

3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 137444396) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine
PubChem CID137444396
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)CCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-6(2)11(3)5-4-7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyOJWSYQAYJDILPG-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine (CID 137444396) is 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine is CC(C)N(C)CCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is OJWSYQAYJDILPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-6(2)11(3)5-4-7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine?
3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 169.19 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 137444396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).