5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine

C12H24F3NO — CID 82788337

IUPAC5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine
SMILESCCC(N)C(OCCCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H24F3NO/c1-5-9(16)10(11(2,3)4)17-8-6-7-12(13,14)15/h9-10H,5-8,16H2,1-4H3
InChIKeyDZMOXBAKNVWQFN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.50
Rot. Bonds6

About 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine

5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine (PubChem CID 82788337) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine
PubChem CID82788337
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine
SMILESCCC(N)C(OCCCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H24F3NO/c1-5-9(16)10(11(2,3)4)17-8-6-7-12(13,14)15/h9-10H,5-8,16H2,1-4H3
InChIKeyDZMOXBAKNVWQFN-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine?
The IUPAC name of 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine (CID 82788337) is 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine?
The canonical SMILES for 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine is CCC(N)C(OCCCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine?
The InChIKey is DZMOXBAKNVWQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-9(16)10(11(2,3)4)17-8-6-7-12(13,14)15/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine?
5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine has a molecular weight of 255.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine is sourced from PubChem (CID 82788337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).