4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine

C10H17F6NO2 — CID 102723359

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2/c1-18-7-5-17-4-2-3-6-19-8(9(11,12)13)10(14,15)16/h8,17H,2-7H2,1H3
InChIKeyCYWVVTVUZUYQTH-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.51
Rot. Bonds9

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 102723359) has the molecular formula C10H17F6NO2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
PubChem CID102723359
Molecular FormulaC10H17F6NO2
Molecular Weight297.24 g/mol
Exact Mass297.12
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2/c1-18-7-5-17-4-2-3-6-19-8(9(11,12)13)10(14,15)16/h8,17H,2-7H2,1H3
InChIKeyCYWVVTVUZUYQTH-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine (CID 102723359) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is CYWVVTVUZUYQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO2/c1-18-7-5-17-4-2-3-6-19-8(9(11,12)13)10(14,15)16/h8,17H,2-7H2,1H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 102723359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).