1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C13H24F3NO — CID 55095357

IUPAC1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNC(CCCOCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H24F3NO/c1-17-12(11-6-3-2-4-7-11)8-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyVZDZGTPJELVVMR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds7

About 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 55095357) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID55095357
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNC(CCCOCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H24F3NO/c1-17-12(11-6-3-2-4-7-11)8-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyVZDZGTPJELVVMR-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 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 55095357) is 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CNC(CCCOCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is VZDZGTPJELVVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-17-12(11-6-3-2-4-7-11)8-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-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 1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 55095357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).