3-(3,3,3-trifluoropropoxy)propan-1-amine

C6H12F3NO — CID 58684618

IUPAC3-(3,3,3-trifluoropropoxy)propan-1-amine
SMILESNCCCOCCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)2-5-11-4-1-3-10/h1-5,10H2
InChIKeyQPPWVMXKCCOZTQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.30
Rot. Bonds5

About 3-(3,3,3-trifluoropropoxy)propan-1-amine

3-(3,3,3-trifluoropropoxy)propan-1-amine (PubChem CID 58684618) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxy)propan-1-amine
PubChem CID58684618
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name3-(3,3,3-trifluoropropoxy)propan-1-amine
SMILESNCCCOCCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)2-5-11-4-1-3-10/h1-5,10H2
InChIKeyQPPWVMXKCCOZTQ-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 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 ≤ 51.30
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-(3,3,3-trifluoropropoxy)propan-1-amine?
The IUPAC name of 3-(3,3,3-trifluoropropoxy)propan-1-amine (CID 58684618) is 3-(3,3,3-trifluoropropoxy)propan-1-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxy)propan-1-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropoxy)propan-1-amine is NCCCOCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropoxy)propan-1-amine?
The InChIKey is QPPWVMXKCCOZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c7-6(8,9)2-5-11-4-1-3-10/h1-5,10H2.
What are the key properties of 3-(3,3,3-trifluoropropoxy)propan-1-amine?
3-(3,3,3-trifluoropropoxy)propan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxy)propan-1-amine is sourced from PubChem (CID 58684618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).