4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine

C7H14F3NO — CID 82534530

IUPAC4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine
SMILESCOCCC(CN)CC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-12-3-2-6(5-11)4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeySDJWCYFDSCHXQH-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.55
Rot. Bonds5

About 4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine

4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine (PubChem CID 82534530) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine
PubChem CID82534530
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine
SMILESCOCCC(CN)CC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-12-3-2-6(5-11)4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeySDJWCYFDSCHXQH-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.55
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-2-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine (CID 82534530) is 4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine is COCCC(CN)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine?
The InChIKey is SDJWCYFDSCHXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-12-3-2-6(5-11)4-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine?
4,4,4-trifluoro-2-(2-methoxyethyl)butan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.55, 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-2-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 82534530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).