4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine

C8H16F3NO — CID 62602390

IUPAC4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCC(C)C(N)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)7(12)3-4-13-5-8(9,10)11/h6-7H,3-5,12H2,1-2H3
InChIKeyKGUVDJBETPFSQV-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.94
Rot. Bonds5

About 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine

4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 62602390) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID62602390
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCC(C)C(N)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)7(12)3-4-13-5-8(9,10)11/h6-7H,3-5,12H2,1-2H3
InChIKeyKGUVDJBETPFSQV-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 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 ≤ 51.94
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 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 62602390) is 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine is CC(C)C(N)CCOCC(F)(F)F.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is KGUVDJBETPFSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(2)7(12)3-4-13-5-8(9,10)11/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine?
4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 199.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 62602390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).