3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine

C7H14F3N — CID 24708019

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

About 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine

3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine (PubChem CID 24708019) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine
PubChem CID24708019
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine
SMILESCC(C)C(C)NCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)6(3)11-4-7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyNKHZHDBLXGUHAA-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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Related Compounds

Propan-2-yl(2,2,2-trifluoroethyl)amine
CID 22103697
(1-Cyclopropylethyl)(2,2,2-trifluoroethyl)amine
CID 3838271
(Pentan-3-yl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 42947903
(2-Methylpropyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 45791388
(1-Cyclopropylethyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 91647809
1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine
CID 19354703
3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 20600813
1,1,1-trifluoro-2-methyl-N-propan-2-ylpropan-2-amine
CID 20782611
1,1,1-trifluoro-4-methyl-N-propan-2-ylpentan-3-amine
CID 21063755
3-Methyl-N-(2,2,2-trifluoroethyl)-1-butanamine
CID 21355403
3-methyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 21974230
(Pentan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24694812

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine (CID 24708019) is 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine is CC(C)C(C)NCC(F)(F)F.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine?
The InChIKey is NKHZHDBLXGUHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-5(2)6(3)11-4-7(8,9)10/h5-6,11H,4H2,1-3H3.
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine?
3-methyl-N-(2,2,2-trifluoroethyl)butan-2-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-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine is sourced from PubChem (CID 24708019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).