3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine

C6H12F3NO — CID 59028600

IUPAC3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-5-4-10-3-2-6(7,8)9/h10H,2-5H2,1H3
InChIKeyZSFXDEUEWARNDN-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.17
Rot. Bonds5

About 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine

3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine (PubChem CID 59028600) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine
PubChem CID59028600
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-5-4-10-3-2-6(7,8)9/h10H,2-5H2,1H3
InChIKeyZSFXDEUEWARNDN-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 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine (CID 59028600) is 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine is COCCNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is ZSFXDEUEWARNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-11-5-4-10-3-2-6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine?
3,3,3-trifluoro-N-(2-methoxyethyl)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 3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 59028600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).