1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine

C11H20F3NO2 — CID 103148153

IUPAC1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESNC(CCOCC(F)(F)F)CCC1CCCO1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-16-7-5-9(15)3-4-10-2-1-6-17-10/h9-10H,1-8,15H2
InChIKeyNXPAHUDHWZMNBP-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds7

About 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine

1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 103148153) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID103148153
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESNC(CCOCC(F)(F)F)CCC1CCCO1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-16-7-5-9(15)3-4-10-2-1-6-17-10/h9-10H,1-8,15H2
InChIKeyNXPAHUDHWZMNBP-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 103148153) is 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine is NC(CCOCC(F)(F)F)CCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is NXPAHUDHWZMNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)8-16-7-5-9(15)3-4-10-2-1-6-17-10/h9-10H,1-8,15H2.
What are the key properties of 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 255.28 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 103148153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).