2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine

C12H24F3NO — CID 64505363

IUPAC2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
SMILESCC(C)(C)C(N)CCCCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-11(2,3)10(16)7-5-4-6-8-17-9-12(13,14)15/h10H,4-9,16H2,1-3H3
InChIKeyGNUXFTRJSVVOMU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.50
Rot. Bonds7

About 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine

2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine (PubChem CID 64505363) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
PubChem CID64505363
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
SMILESCC(C)(C)C(N)CCCCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-11(2,3)10(16)7-5-4-6-8-17-9-12(13,14)15/h10H,4-9,16H2,1-3H3
InChIKeyGNUXFTRJSVVOMU-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.50
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 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine?
The IUPAC name of 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine (CID 64505363) is 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine.
What is the SMILES notation for 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine?
The canonical SMILES for 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine is CC(C)(C)C(N)CCCCCOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine?
The InChIKey is GNUXFTRJSVVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-11(2,3)10(16)7-5-4-6-8-17-9-12(13,14)15/h10H,4-9,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine?
2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine has a molecular weight of 255.32 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine is sourced from PubChem (CID 64505363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).