N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

C10H19F4NO — CID 62355456

IUPACN-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCCNCC(C)(CC)OCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-4-9(3,6-15-5-2)16-7-10(13,14)8(11)12/h8,15H,4-7H2,1-3H3
InChIKeyOEHKUZMELFFJGG-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.68
Rot. Bonds8

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

N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (PubChem CID 62355456) has the molecular formula C10H19F4NO and a molecular weight of 245.26 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
PubChem CID62355456
Molecular FormulaC10H19F4NO
Molecular Weight245.26 g/mol
Exact Mass245.14
IUPAC NameN-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCCNCC(C)(CC)OCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-4-9(3,6-15-5-2)16-7-10(13,14)8(11)12/h8,15H,4-7H2,1-3H3
InChIKeyOEHKUZMELFFJGG-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (CID 62355456) is N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is CCNCC(C)(CC)OCC(F)(F)C(F)F.
What is the InChIKey of N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The InChIKey is OEHKUZMELFFJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO/c1-4-9(3,6-15-5-2)16-7-10(13,14)8(11)12/h8,15H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine has a molecular weight of 245.26 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is sourced from PubChem (CID 62355456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).