2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane

C19H33FO — CID 58205794

IUPAC2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCCC1CC(C)(OC2CC3CCC2C3(C)C)CC1(F)CC
InChIInChI=1S/C19H33FO/c1-6-13-11-18(5,12-19(13,20)7-2)21-16-10-14-8-9-15(16)17(14,3)4/h13-16H,6-12H2,1-5H3
InChIKeyAXAATRIXEPIYEB-UHFFFAOYSA-N
MW296.47 g/mol
LogP5.52
Rot. Bonds4

About 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane

2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane (PubChem CID 58205794) has the molecular formula C19H33FO and a molecular weight of 296.47 g/mol. Its IUPAC name is 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane
PubChem CID58205794
Molecular FormulaC19H33FO
Molecular Weight296.47 g/mol
Exact Mass296.25
IUPAC Name2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCCC1CC(C)(OC2CC3CCC2C3(C)C)CC1(F)CC
InChIInChI=1S/C19H33FO/c1-6-13-11-18(5,12-19(13,20)7-2)21-16-10-14-8-9-15(16)17(14,3)4/h13-16H,6-12H2,1-5H3
InChIKeyAXAATRIXEPIYEB-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane with MolForge

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Related Compounds

Ethoxybornane
CID 86848
1,7,7-Trimethyl-2-[(propan-2-yl)oxy]bicyclo[2.2.1]heptane
CID 14109089
Bornylather
CID 22992571
t-Butylisobornyl ether
CID 72770490
rel-(1R,2S,4R)-2-Ethoxy-1,7,7-trimethylbicyclo(2.2.1)heptane
CID 21116274
Bicyclo[2.2.1]heptane, 2-ethoxy-1,7,7-trimethyl-, (1R,2S,4R)-rel-
CID 14109085
2-(3,5-Diethyl-3-fluoro-1-methylcyclohexyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 58205766
2-(3,4-Diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane
CID 58205875
2-[3-(1,1-Difluoroethyl)-4-ethyl-2,2,4-trifluoro-1-(trifluoromethyl)cyclopentyl]oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 60034482
2-[3-(1,1-Difluoroethyl)-5-ethyl-2,2,4-trifluoro-1-(trifluoromethyl)cyclohexyl]oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 60034505
2-[3-(1,1-Difluoroethyl)-5-ethyl-2,2-difluoro-1-(trifluoromethyl)cyclohexyl]oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 91332914
Vwwzfypugqmmou-uhfffaoysa-
CID 12316861

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane (CID 58205794) is 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane is CCC1CC(C)(OC2CC3CCC2C3(C)C)CC1(F)CC.
What is the InChIKey of 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane?
The InChIKey is AXAATRIXEPIYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FO/c1-6-13-11-18(5,12-19(13,20)7-2)21-16-10-14-8-9-15(16)17(14,3)4/h13-16H,6-12H2,1-5H3.
What are the key properties of 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane?
2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane has a molecular weight of 296.47 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58205794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).