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

C14H22FN — CID 174170304

IUPAC3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCCC1C2C3C=C(F)C(C3)C2CN1C(C)C
InChIInChI=1S/C14H22FN/c1-4-13-14-9-5-10(12(15)6-9)11(14)7-16(13)8(2)3/h6,8-11,13-14H,4-5,7H2,1-3H3
InChIKeyGOVIESDKCLTUIA-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.22
Rot. Bonds2

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

3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 174170304) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID174170304
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCCC1C2C3C=C(F)C(C3)C2CN1C(C)C
InChIInChI=1S/C14H22FN/c1-4-13-14-9-5-10(12(15)6-9)11(14)7-16(13)8(2)3/h6,8-11,13-14H,4-5,7H2,1-3H3
InChIKeyGOVIESDKCLTUIA-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 174170304) is 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene is CCC1C2C3C=C(F)C(C3)C2CN1C(C)C.
What is the InChIKey of 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is GOVIESDKCLTUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-13-14-9-5-10(12(15)6-9)11(14)7-16(13)8(2)3/h6,8-11,13-14H,4-5,7H2,1-3H3.
What are the key properties of 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 223.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 174170304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).