N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C12H24F3NO2 — CID 62723554

IUPACN-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOCCNCC(C)(C)CCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-11(2,9-16-6-8-17-3)5-4-7-18-10-12(13,14)15/h16H,4-10H2,1-3H3
InChIKeyHRCBDIJUINTDLN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds10

About N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62723554) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62723554
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC NameN-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOCCNCC(C)(C)CCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-11(2,9-16-6-8-17-3)5-4-7-18-10-12(13,14)15/h16H,4-10H2,1-3H3
InChIKeyHRCBDIJUINTDLN-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.61
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 N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62723554) is N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is COCCNCC(C)(C)CCCOCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is HRCBDIJUINTDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-11(2,9-16-6-8-17-3)5-4-7-18-10-12(13,14)15/h16H,4-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62723554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).