2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine

C8H16F3NO — CID 82711358

IUPAC2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCCC(NOCC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3NO/c1-4-7(6(2)3)12-13-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyJKLCTUYULZRBNZ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.50
Rot. Bonds5

About 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine

2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 82711358) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID82711358
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCCC(NOCC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3NO/c1-4-7(6(2)3)12-13-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyJKLCTUYULZRBNZ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 82711358) is 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine is CCC(NOCC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is JKLCTUYULZRBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-4-7(6(2)3)12-13-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine?
2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 199.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 82711358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).