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

C13H25F4NO2 — CID 103475699

IUPACN-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
SMILESCCNC(CCC(C)(C)OC)COCC(F)(F)C(F)F
InChIInChI=1S/C13H25F4NO2/c1-5-18-10(6-7-12(2,3)19-4)8-20-9-13(16,17)11(14)15/h10-11,18H,5-9H2,1-4H3
InChIKeyKKWTVQWKAALNDM-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.09
Rot. Bonds11

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

N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine (PubChem CID 103475699) has the molecular formula C13H25F4NO2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
PubChem CID103475699
Molecular FormulaC13H25F4NO2
Molecular Weight303.34 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
SMILESCCNC(CCC(C)(C)OC)COCC(F)(F)C(F)F
InChIInChI=1S/C13H25F4NO2/c1-5-18-10(6-7-12(2,3)19-4)8-20-9-13(16,17)11(14)15/h10-11,18H,5-9H2,1-4H3
InChIKeyKKWTVQWKAALNDM-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.09
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 N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine (CID 103475699) is N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine is CCNC(CCC(C)(C)OC)COCC(F)(F)C(F)F.
What is the InChIKey of N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The InChIKey is KKWTVQWKAALNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F4NO2/c1-5-18-10(6-7-12(2,3)19-4)8-20-9-13(16,17)11(14)15/h10-11,18H,5-9H2,1-4H3.
What are the key properties of N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine has a molecular weight of 303.34 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine is sourced from PubChem (CID 103475699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).