4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine

C13H24F3NO — CID 82792212

IUPAC4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCOCCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11-3-5-12(6-4-11)17-8-10-18-9-2-7-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyQAPQZFABOXHWSW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds7

About 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine

4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine (PubChem CID 82792212) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine
PubChem CID82792212
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCOCCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11-3-5-12(6-4-11)17-8-10-18-9-2-7-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyQAPQZFABOXHWSW-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine (CID 82792212) is 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine is CC1CCC(NCCOCCCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine?
The InChIKey is QAPQZFABOXHWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11-3-5-12(6-4-11)17-8-10-18-9-2-7-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine?
4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 82792212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).