2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C7H14F3N — CID 50986356

IUPAC2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)(C)CNCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-6(2,3)4-11-5-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyMNBRJXRYFIUFTQ-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.18
Rot. Bonds2

About 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 50986356) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID50986356
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)(C)CNCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-6(2,3)4-11-5-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyMNBRJXRYFIUFTQ-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 50986356) is 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)(C)CNCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is MNBRJXRYFIUFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-6(2,3)4-11-5-7(8,9)10/h11H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 169.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 50986356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).