5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine

C10H21F2NO — CID 146587519

IUPAC5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
SMILESCCOCCC(F)(F)CCNC(C)C
InChIInChI=1S/C10H21F2NO/c1-4-14-8-6-10(11,12)5-7-13-9(2)3/h9,13H,4-8H2,1-3H3
InChIKeyYJVKFTPVDOZGEU-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.44
Rot. Bonds8

About 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine

5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine (PubChem CID 146587519) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
PubChem CID146587519
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
SMILESCCOCCC(F)(F)CCNC(C)C
InChIInChI=1S/C10H21F2NO/c1-4-14-8-6-10(11,12)5-7-13-9(2)3/h9,13H,4-8H2,1-3H3
InChIKeyYJVKFTPVDOZGEU-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-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 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine (CID 146587519) is 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine is CCOCCC(F)(F)CCNC(C)C.
What is the InChIKey of 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine?
The InChIKey is YJVKFTPVDOZGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-4-14-8-6-10(11,12)5-7-13-9(2)3/h9,13H,4-8H2,1-3H3.
What are the key properties of 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine?
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 146587519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).