6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine

C8H13F6NO — CID 103147999

IUPAC6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESNC(CCOCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C8H13F6NO/c9-7(10,11)3-1-6(15)2-4-16-5-8(12,13)14/h6H,1-5,15H2
InChIKeyGOTUHQNQSVJPPB-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.63
Rot. Bonds6

About 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine

6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 103147999) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID103147999
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESNC(CCOCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C8H13F6NO/c9-7(10,11)3-1-6(15)2-4-16-5-8(12,13)14/h6H,1-5,15H2
InChIKeyGOTUHQNQSVJPPB-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 103147999) is 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine is NC(CCOCC(F)(F)F)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is GOTUHQNQSVJPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO/c9-7(10,11)3-1-6(15)2-4-16-5-8(12,13)14/h6H,1-5,15H2.
What are the key properties of 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 253.19 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 103147999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).