2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine

C10H20F3N — CID 60976786

IUPAC2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC(F)(F)F
InChIInChI=1S/C10H20F3N/c1-8(2,3)6-9(4,5)14-7-10(11,12)13/h14H,6-7H2,1-5H3
InChIKeyCFPJSCZUGQDVEC-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.35
Rot. Bonds3

About 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine

2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine (PubChem CID 60976786) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
PubChem CID60976786
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC(F)(F)F
InChIInChI=1S/C10H20F3N/c1-8(2,3)6-9(4,5)14-7-10(11,12)13/h14H,6-7H2,1-5H3
InChIKeyCFPJSCZUGQDVEC-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine (CID 60976786) is 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine is CC(C)(C)CC(C)(C)NCC(F)(F)F.
What is the InChIKey of 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The InChIKey is CFPJSCZUGQDVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-8(2,3)6-9(4,5)14-7-10(11,12)13/h14H,6-7H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine has a molecular weight of 211.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine is sourced from PubChem (CID 60976786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).