1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine

C12H22F3NO — CID 104749714

IUPAC1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESCNC(COCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H22F3NO/c1-16-11(10-5-3-2-4-6-10)9-17-8-7-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyRSCLAEDNJQKZMS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine

1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine (PubChem CID 104749714) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine
PubChem CID104749714
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESCNC(COCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H22F3NO/c1-16-11(10-5-3-2-4-6-10)9-17-8-7-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyRSCLAEDNJQKZMS-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
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-2-(3,3,3-trifluoropropoxy)ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine (CID 104749714) is 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine is CNC(COCCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine?
The InChIKey is RSCLAEDNJQKZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-16-11(10-5-3-2-4-6-10)9-17-8-7-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine?
1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine is sourced from PubChem (CID 104749714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).