N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine

C8H16F3N — CID 20687192

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3N/c1-6(2)12(7(3)4)5-8(9,10)11/h6-7H,5H2,1-4H3
InChIKeySDZCWRDTTMLDRR-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.67
Rot. Bonds3

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine

N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 20687192) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID20687192
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3N/c1-6(2)12(7(3)4)5-8(9,10)11/h6-7H,5H2,1-4H3
InChIKeySDZCWRDTTMLDRR-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 20687192) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CC(F)(F)F)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is SDZCWRDTTMLDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-6(2)12(7(3)4)5-8(9,10)11/h6-7H,5H2,1-4H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 183.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 20687192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).