N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

C10H20F3NO — CID 61491263

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCCCCCNCCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-2-3-4-6-14-7-5-8-15-9-10(11,12)13/h14H,2-9H2,1H3
InChIKeyQIOJRAZOBRRROQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.74
Rot. Bonds9

About N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (PubChem CID 61491263) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
PubChem CID61491263
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCCCCCNCCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-2-3-4-6-14-7-5-8-15-9-10(11,12)13/h14H,2-9H2,1H3
InChIKeyQIOJRAZOBRRROQ-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.74
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-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (CID 61491263) is N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is CCCCCNCCCOCC(F)(F)F.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The InChIKey is QIOJRAZOBRRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-2-3-4-6-14-7-5-8-15-9-10(11,12)13/h14H,2-9H2,1H3.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 61491263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).