4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine

C9H18F3NO — CID 104860379

IUPAC4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine
SMILESCOC(C)C(C)NC(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-6(5-9(10,11)12)13-7(2)8(3)14-4/h6-8,13H,5H2,1-4H3
InChIKeyVIYIXYMYXYPMJX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds5

About 4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine

4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine (PubChem CID 104860379) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine
PubChem CID104860379
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine
SMILESCOC(C)C(C)NC(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-6(5-9(10,11)12)13-7(2)8(3)14-4/h6-8,13H,5H2,1-4H3
InChIKeyVIYIXYMYXYPMJX-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
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-(3-methoxybutan-2-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine (CID 104860379) is 4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine is COC(C)C(C)NC(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine?
The InChIKey is VIYIXYMYXYPMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-6(5-9(10,11)12)13-7(2)8(3)14-4/h6-8,13H,5H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine?
4,4,4-trifluoro-N-(3-methoxybutan-2-yl)butan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 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-(3-methoxybutan-2-yl)butan-2-amine is sourced from PubChem (CID 104860379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).