N-(4,4,4-trifluorobutoxy)ethanamine

C6H12F3NO — CID 118335918

IUPACN-(4,4,4-trifluorobutoxy)ethanamine
SMILESCCNOCCCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-10-11-5-3-4-6(7,8)9/h10H,2-5H2,1H3
InChIKeyRJLBZHTYWYXZEX-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.87
Rot. Bonds5

About N-(4,4,4-trifluorobutoxy)ethanamine

N-(4,4,4-trifluorobutoxy)ethanamine (PubChem CID 118335918) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutoxy)ethanamine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutoxy)ethanamine
PubChem CID118335918
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC NameN-(4,4,4-trifluorobutoxy)ethanamine
SMILESCCNOCCCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-10-11-5-3-4-6(7,8)9/h10H,2-5H2,1H3
InChIKeyRJLBZHTYWYXZEX-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutoxy)ethanamine?
The IUPAC name of N-(4,4,4-trifluorobutoxy)ethanamine (CID 118335918) is N-(4,4,4-trifluorobutoxy)ethanamine.
What is the SMILES notation for N-(4,4,4-trifluorobutoxy)ethanamine?
The canonical SMILES for N-(4,4,4-trifluorobutoxy)ethanamine is CCNOCCCC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluorobutoxy)ethanamine?
The InChIKey is RJLBZHTYWYXZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-10-11-5-3-4-6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutoxy)ethanamine?
N-(4,4,4-trifluorobutoxy)ethanamine has a molecular weight of 171.16 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutoxy)ethanamine is sourced from PubChem (CID 118335918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).