N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine

C12H23F4NO — CID 83045723

IUPACN-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCC(F)(F)C(F)F
InChIInChI=1S/C12H23F4NO/c1-5-6-9(7-17-11(2,3)4)18-8-12(15,16)10(13)14/h9-10,17H,5-8H2,1-4H3
InChIKeyIHPCIZWWWHFRLW-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.46
Rot. Bonds8

About N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine

N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine (PubChem CID 83045723) has the molecular formula C12H23F4NO and a molecular weight of 273.31 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine
PubChem CID83045723
Molecular FormulaC12H23F4NO
Molecular Weight273.31 g/mol
Exact Mass273.17
IUPAC NameN-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCC(F)(F)C(F)F
InChIInChI=1S/C12H23F4NO/c1-5-6-9(7-17-11(2,3)4)18-8-12(15,16)10(13)14/h9-10,17H,5-8H2,1-4H3
InChIKeyIHPCIZWWWHFRLW-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine (CID 83045723) is N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine is CCCC(CNC(C)(C)C)OCC(F)(F)C(F)F.
What is the InChIKey of N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine?
The InChIKey is IHPCIZWWWHFRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F4NO/c1-5-6-9(7-17-11(2,3)4)18-8-12(15,16)10(13)14/h9-10,17H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine?
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine has a molecular weight of 273.31 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine is sourced from PubChem (CID 83045723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).