5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine

C14H27F4NO2 — CID 103475865

IUPAC5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)COCC(F)(F)C(F)F
InChIInChI=1S/C14H27F4NO2/c1-5-8-19-11(6-7-13(2,3)20-4)9-21-10-14(17,18)12(15)16/h11-12,19H,5-10H2,1-4H3
InChIKeyKNIDJYPVTRRFLL-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.48
Rot. Bonds12

About 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine

5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine (PubChem CID 103475865) has the molecular formula C14H27F4NO2 and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
PubChem CID103475865
Molecular FormulaC14H27F4NO2
Molecular Weight317.37 g/mol
Exact Mass317.20
IUPAC Name5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)COCC(F)(F)C(F)F
InChIInChI=1S/C14H27F4NO2/c1-5-8-19-11(6-7-13(2,3)20-4)9-21-10-14(17,18)12(15)16/h11-12,19H,5-10H2,1-4H3
InChIKeyKNIDJYPVTRRFLL-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine (CID 103475865) is 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine is CCCNC(CCC(C)(C)OC)COCC(F)(F)C(F)F.
What is the InChIKey of 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The InChIKey is KNIDJYPVTRRFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F4NO2/c1-5-8-19-11(6-7-13(2,3)20-4)9-21-10-14(17,18)12(15)16/h11-12,19H,5-10H2,1-4H3.
What are the key properties of 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine has a molecular weight of 317.37 g/mol, XLogP of 3.48, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine is sourced from PubChem (CID 103475865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).