4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine

C12H20F6N2O — CID 160816879

IUPAC4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
SMILESFC(F)C(F)(F)C(F)(F)CCCNCCN1CCOCC1
InChIInChI=1S/C12H20F6N2O/c13-10(14)12(17,18)11(15,16)2-1-3-19-4-5-20-6-8-21-9-7-20/h10,19H,1-9H2
InChIKeyRZSCCDRXAKDOIB-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.22
Rot. Bonds9

About 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine

4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine (PubChem CID 160816879) has the molecular formula C12H20F6N2O and a molecular weight of 322.29 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
PubChem CID160816879
Molecular FormulaC12H20F6N2O
Molecular Weight322.29 g/mol
Exact Mass322.15
IUPAC Name4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
SMILESFC(F)C(F)(F)C(F)(F)CCCNCCN1CCOCC1
InChIInChI=1S/C12H20F6N2O/c13-10(14)12(17,18)11(15,16)2-1-3-19-4-5-20-6-8-21-9-7-20/h10,19H,1-9H2
InChIKeyRZSCCDRXAKDOIB-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine (CID 160816879) is 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine is FC(F)C(F)(F)C(F)(F)CCCNCCN1CCOCC1.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine?
The InChIKey is RZSCCDRXAKDOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6N2O/c13-10(14)12(17,18)11(15,16)2-1-3-19-4-5-20-6-8-21-9-7-20/h10,19H,1-9H2.
What are the key properties of 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine?
4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine has a molecular weight of 322.29 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine is sourced from PubChem (CID 160816879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).