4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine

C11H22F3NO — CID 81343377

IUPAC4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(8-10(2,3)16-4)15-7-5-6-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyVZUIZYGRGMGIIY-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine

4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine (PubChem CID 81343377) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
PubChem CID81343377
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(8-10(2,3)16-4)15-7-5-6-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyVZUIZYGRGMGIIY-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
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-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine (CID 81343377) is 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine is COC(C)(C)CC(C)NCCCC(F)(F)F.
What is the InChIKey of 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine?
The InChIKey is VZUIZYGRGMGIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(8-10(2,3)16-4)15-7-5-6-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine?
4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine is sourced from PubChem (CID 81343377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).