N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine

C8H16F3NO — CID 66467038

IUPACN-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine
SMILESCCNC(CCCOC)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-12-7(8(9,10)11)5-4-6-13-2/h7,12H,3-6H2,1-2H3
InChIKeyPCRKHLSDJLRZAS-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds6

About N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine

N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine (PubChem CID 66467038) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine
PubChem CID66467038
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine
SMILESCCNC(CCCOC)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-12-7(8(9,10)11)5-4-6-13-2/h7,12H,3-6H2,1-2H3
InChIKeyPCRKHLSDJLRZAS-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
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-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine (CID 66467038) is N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine is CCNC(CCCOC)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine?
The InChIKey is PCRKHLSDJLRZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-12-7(8(9,10)11)5-4-6-13-2/h7,12H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine?
N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine is sourced from PubChem (CID 66467038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).