2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

C16H26FN — CID 174169270

IUPAC2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1N(C(C)C)CC2(C)C3C=CC(C3)C12F
InChIInChI=1S/C16H26FN/c1-10(2)14-16(17)13-7-6-12(8-13)15(16,5)9-18(14)11(3)4/h6-7,10-14H,8-9H2,1-5H3
InChIKeyBCRCQDRZRYWZKB-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.66
Rot. Bonds2

About 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 174169270) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID174169270
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1N(C(C)C)CC2(C)C3C=CC(C3)C12F
InChIInChI=1S/C16H26FN/c1-10(2)14-16(17)13-7-6-12(8-13)15(16,5)9-18(14)11(3)4/h6-7,10-14H,8-9H2,1-5H3
InChIKeyBCRCQDRZRYWZKB-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-
CID 436148
4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CID 145150556
10,10-Difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167424914
9-Fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167424930
2-Fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167424933
8-Fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167424943
10-Fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167425108
2,6-Difluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167425170
2-Fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167425202
1-[4-[3-[(E)-but-2-en-2-yl]-2-ethyl-2-methylcyclopentyl]butyl]-3-fluoropyrrolidine
CID 170043447
3-Ethyl-8-fluoro-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 174170304
4-Ethyl-2,6-difluoro-3-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 174170306

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 174169270) is 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is CC(C)C1N(C(C)C)CC2(C)C3C=CC(C3)C12F.
What is the InChIKey of 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is BCRCQDRZRYWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-10(2)14-16(17)13-7-6-12(8-13)15(16,5)9-18(14)11(3)4/h6-7,10-14H,8-9H2,1-5H3.
What are the key properties of 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 251.39 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 174169270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).