N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine

C8H15F4NO — CID 62456002

IUPACN-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
SMILESCCNCC(C)OCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO/c1-3-13-4-6(2)14-5-8(11,12)7(9)10/h6-7,13H,3-5H2,1-2H3
InChIKeyOZJYPFPUTAOJBC-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.90
Rot. Bonds7

About N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine

N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine (PubChem CID 62456002) has the molecular formula C8H15F4NO and a molecular weight of 217.21 g/mol. Its IUPAC name is N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
PubChem CID62456002
Molecular FormulaC8H15F4NO
Molecular Weight217.21 g/mol
Exact Mass217.11
IUPAC NameN-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
SMILESCCNCC(C)OCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO/c1-3-13-4-6(2)14-5-8(11,12)7(9)10/h6-7,13H,3-5H2,1-2H3
InChIKeyOZJYPFPUTAOJBC-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.90
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-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine?
The IUPAC name of N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine (CID 62456002) is N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine is CCNCC(C)OCC(F)(F)C(F)F.
What is the InChIKey of N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine?
The InChIKey is OZJYPFPUTAOJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4NO/c1-3-13-4-6(2)14-5-8(11,12)7(9)10/h6-7,13H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine?
N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine has a molecular weight of 217.21 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine is sourced from PubChem (CID 62456002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).