N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C6H12F3NO — CID 61491003

IUPACN-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNCCCOCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10-3-2-4-11-5-6(7,8)9/h10H,2-5H2,1H3
InChIKeyNBYPGGFVQOWUIQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.17
Rot. Bonds5

About N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 61491003) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID61491003
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC NameN-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNCCCOCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10-3-2-4-11-5-6(7,8)9/h10H,2-5H2,1H3
InChIKeyNBYPGGFVQOWUIQ-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.17
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 N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 61491003) is N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNCCCOCC(F)(F)F.
What is the InChIKey of N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is NBYPGGFVQOWUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-10-3-2-4-11-5-6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 61491003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).