1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine

C6H10F3NO — CID 82710901

IUPAC1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCC1CC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-11-10-3-5-1-2-5/h5,10H,1-4H2
InChIKeyYMNAKUSEXFRZTK-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.48
Rot. Bonds4

About 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine

1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82710901) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82710901
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCC1CC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-11-10-3-5-1-2-5/h5,10H,1-4H2
InChIKeyYMNAKUSEXFRZTK-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine (CID 82710901) is 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine is FC(F)(F)CONCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is YMNAKUSEXFRZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)4-11-10-3-5-1-2-5/h5,10H,1-4H2.
What are the key properties of 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine?
1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 169.15 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82710901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).