2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane

C18H31FO — CID 58205774

IUPAC2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane
SMILESCCC1CC(F)(CC)CC(C)(OC2CC3CCC2C3)C1
InChIInChI=1S/C18H31FO/c1-4-13-10-17(3,12-18(19,5-2)11-13)20-16-9-14-6-7-15(16)8-14/h13-16H,4-12H2,1-3H3
InChIKeyMYGXNZXHLCJUOR-UHFFFAOYSA-N
MW282.44 g/mol
LogP5.28
Rot. Bonds4

About 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane

2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane (PubChem CID 58205774) has the molecular formula C18H31FO and a molecular weight of 282.44 g/mol. Its IUPAC name is 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane
PubChem CID58205774
Molecular FormulaC18H31FO
Molecular Weight282.44 g/mol
Exact Mass282.24
IUPAC Name2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane
SMILESCCC1CC(F)(CC)CC(C)(OC2CC3CCC2C3)C1
InChIInChI=1S/C18H31FO/c1-4-13-10-17(3,12-18(19,5-2)11-13)20-16-9-14-6-7-15(16)8-14/h13-16H,4-12H2,1-3H3
InChIKeyMYGXNZXHLCJUOR-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(1-Fluoropropan-2-yloxy)bicyclo[2.2.1]heptane
CID 58841758
9-(1,1,1-Trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane
CID 59422972
2-[2,2,4,4,7-Pentafluoro-5-(trifluoromethyl)nonan-5-yl]oxybicyclo[2.2.1]heptane
CID 60034426
2-[2,2,4,4-Tetrafluoro-7-(fluoromethyl)-5-(trifluoromethyl)nonan-5-yl]oxybicyclo[2.2.1]heptane
CID 60034500
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
2-Ethyl-2-propan-2-yloxybicyclo[2.2.1]heptane
CID 57041429
2-Nonoxybicyclo[2.2.1]heptane
CID 57628982
(1S)-2-ethoxytricyclo[3.3.1.03,7]nonane
CID 89346237
2-Butan-2-yloxy-2-methylbicyclo[2.2.1]heptane
CID 89448612

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane?
The IUPAC name of 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane (CID 58205774) is 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane is CCC1CC(F)(CC)CC(C)(OC2CC3CCC2C3)C1.
What is the InChIKey of 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane?
The InChIKey is MYGXNZXHLCJUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FO/c1-4-13-10-17(3,12-18(19,5-2)11-13)20-16-9-14-6-7-15(16)8-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane?
2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane has a molecular weight of 282.44 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane is sourced from PubChem (CID 58205774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).