1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine

C8H14F3NO — CID 82710883

IUPAC1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCC(NOCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO/c1-2-7(6-3-4-6)12-13-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyNEAZQTKBZHIHNK-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.26
Rot. Bonds5

About 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine

1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 82710883) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID82710883
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCC(NOCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO/c1-2-7(6-3-4-6)12-13-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyNEAZQTKBZHIHNK-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine (CID 82710883) is 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine is CCC(NOCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is NEAZQTKBZHIHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-7(6-3-4-6)12-13-5-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 2.26, 5 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)propan-1-amine is sourced from PubChem (CID 82710883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).