5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine

C12H23F4NO — CID 55092962

IUPAC5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCOCC(F)(F)C(F)F
InChIInChI=1S/C12H23F4NO/c1-9(2)4-5-10(3)17-6-7-18-8-12(15,16)11(13)14/h9-11,17H,4-8H2,1-3H3
InChIKeySJWHJVULQNFPKL-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.32
Rot. Bonds10

About 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine

5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine (PubChem CID 55092962) has the molecular formula C12H23F4NO and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine
PubChem CID55092962
Molecular FormulaC12H23F4NO
Molecular Weight273.31 g/mol
Exact Mass273.17
IUPAC Name5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCOCC(F)(F)C(F)F
InChIInChI=1S/C12H23F4NO/c1-9(2)4-5-10(3)17-6-7-18-8-12(15,16)11(13)14/h9-11,17H,4-8H2,1-3H3
InChIKeySJWHJVULQNFPKL-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine (CID 55092962) is 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine is CC(C)CCC(C)NCCOCC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine?
The InChIKey is SJWHJVULQNFPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F4NO/c1-9(2)4-5-10(3)17-6-7-18-8-12(15,16)11(13)14/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine?
5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine has a molecular weight of 273.31 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine is sourced from PubChem (CID 55092962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).