2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C9H16F3N — CID 24692496

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CCCCC1NCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7-4-2-3-5-8(7)13-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyJKZWBYTUVJNJHE-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds2

About 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 24692496) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID24692496
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CCCCC1NCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7-4-2-3-5-8(7)13-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyJKZWBYTUVJNJHE-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 24692496) is 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC1CCCCC1NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is JKZWBYTUVJNJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7-4-2-3-5-8(7)13-6-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 24692496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).