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

C7H14F3N — CID 87066747

IUPAC3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)11-4-6(3)7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyVEOMHROETVATFO-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.18
Rot. Bonds3

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

3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 87066747) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID87066747
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)11-4-6(3)7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyVEOMHROETVATFO-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine (CID 87066747) is 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is VEOMHROETVATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-5(2)11-4-6(3)7(8,9)10/h5-6,11H,4H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine?
3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 169.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 87066747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).