5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine

C9H18F3N — CID 43185242

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-7(2)4-5-8(3)13-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyHKBICRWNDQLUEK-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.96
Rot. Bonds5

About 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine

5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine (PubChem CID 43185242) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
PubChem CID43185242
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-7(2)4-5-8(3)13-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyHKBICRWNDQLUEK-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine (CID 43185242) is 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine is CC(C)CCC(C)NCC(F)(F)F.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine?
The InChIKey is HKBICRWNDQLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-7(2)4-5-8(3)13-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine?
5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine has a molecular weight of 197.24 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine is sourced from PubChem (CID 43185242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).