3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H16F3NO — CID 82670782

IUPAC3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)OCCCNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2)13-5-3-4-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyQPHRQNWCSXSROZ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds6

About 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 82670782) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID82670782
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)OCCCNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2)13-5-3-4-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyQPHRQNWCSXSROZ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
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 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 82670782) is 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)OCCCNCC(F)(F)F.
What is the InChIKey of 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is QPHRQNWCSXSROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2)13-5-3-4-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 82670782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).