4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine

C8H16F3NO — CID 102795179

IUPAC4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine
SMILESCOC(C)CNC(C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(4-8(9,10)11)12-5-7(2)13-3/h6-7,12H,4-5H2,1-3H3
InChIKeyIWYFQGZMZLKUHM-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds5

About 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine

4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine (PubChem CID 102795179) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine
PubChem CID102795179
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine
SMILESCOC(C)CNC(C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(4-8(9,10)11)12-5-7(2)13-3/h6-7,12H,4-5H2,1-3H3
InChIKeyIWYFQGZMZLKUHM-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine (CID 102795179) is 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine is COC(C)CNC(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine?
The InChIKey is IWYFQGZMZLKUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(4-8(9,10)11)12-5-7(2)13-3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine?
4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methoxypropyl)butan-2-amine is sourced from PubChem (CID 102795179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).