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

C9H16F3N — CID 24705824

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-7-2-4-8(5-3-7)13-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyRLJMMKRORJXRHM-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 24705824) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID24705824
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-7-2-4-8(5-3-7)13-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyRLJMMKRORJXRHM-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 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 24705824) is 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is RLJMMKRORJXRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7-2-4-8(5-3-7)13-6-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
4-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 4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 24705824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).