4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene

C14H21F2N — CID 174170306

IUPAC4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCCN1CC2(F)C3C=CC(C3)C2(F)C1C(C)C
InChIInChI=1S/C14H21F2N/c1-4-17-8-13(15)10-5-6-11(7-10)14(13,16)12(17)9(2)3/h5-6,9-12H,4,7-8H2,1-3H3
InChIKeyRSIWOOYNEQMYLW-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.97
Rot. Bonds2

About 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene

4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 174170306) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID174170306
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCCN1CC2(F)C3C=CC(C3)C2(F)C1C(C)C
InChIInChI=1S/C14H21F2N/c1-4-17-8-13(15)10-5-6-11(7-10)14(13,16)12(17)9(2)3/h5-6,9-12H,4,7-8H2,1-3H3
InChIKeyRSIWOOYNEQMYLW-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 174170306) is 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene is CCN1CC2(F)C3C=CC(C3)C2(F)C1C(C)C.
What is the InChIKey of 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is RSIWOOYNEQMYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-17-8-13(15)10-5-6-11(7-10)14(13,16)12(17)9(2)3/h5-6,9-12H,4,7-8H2,1-3H3.
What are the key properties of 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 241.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 174170306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).