2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane

C17H29FO — CID 58205875

IUPAC2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane
SMILESCCC1CC(C)(OC2CC3CCC2C3)CC1(F)CC
InChIInChI=1S/C17H29FO/c1-4-14-10-16(3,11-17(14,18)5-2)19-15-9-12-6-7-13(15)8-12/h12-15H,4-11H2,1-3H3
InChIKeyMXSGCYGUZPEWKD-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.89
Rot. Bonds4

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

2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane (PubChem CID 58205875) has the molecular formula C17H29FO and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane
PubChem CID58205875
Molecular FormulaC17H29FO
Molecular Weight268.42 g/mol
Exact Mass268.22
IUPAC Name2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane
SMILESCCC1CC(C)(OC2CC3CCC2C3)CC1(F)CC
InChIInChI=1S/C17H29FO/c1-4-14-10-16(3,11-17(14,18)5-2)19-15-9-12-6-7-13(15)8-12/h12-15H,4-11H2,1-3H3
InChIKeyMXSGCYGUZPEWKD-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)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

t-Butylisobornyl ether
CID 72770490
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononoxy)-2,3-dimethylbicyclo[2.2.1]heptane
CID 57940005
2-(3,5-Diethyl-3-fluoro-1-methylcyclohexyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 58205766
2-(3,5-Diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane
CID 58205774
2-(3,4-Diethyl-3-fluoro-1-methylcyclopentyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 58205794
2-[(2-Methylpropan-2-yl)oxy]-5-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane
CID 58436012
2-(1-Fluoropropan-2-yloxy)bicyclo[2.2.1]heptane
CID 58841758
2,3-Dimethyl-5-(2,2,3,3,4,4,6,6,7,7,8,8,9,9-tetradecafluorononoxy)bicyclo[2.2.1]heptane
CID 59126170
8-(1,1,1-Trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane
CID 59422984
2-[2,2,4,4,7-Pentafluoro-5-(trifluoromethyl)nonan-5-yl]oxybicyclo[2.2.1]heptane
CID 60034426
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-[2,2,4,4-Tetrafluoro-7-(fluoromethyl)-5-(trifluoromethyl)nonan-5-yl]oxybicyclo[2.2.1]heptane
CID 60034500

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane?
The IUPAC name of 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane (CID 58205875) is 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane is CCC1CC(C)(OC2CC3CCC2C3)CC1(F)CC.
What is the InChIKey of 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane?
The InChIKey is MXSGCYGUZPEWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FO/c1-4-14-10-16(3,11-17(14,18)5-2)19-15-9-12-6-7-13(15)8-12/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane?
2-(3,4-diethyl-3-fluoro-1-methylcyclopentyl)oxybicyclo[2.2.1]heptane has a molecular weight of 268.42 g/mol, XLogP of 4.89, 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)oxybicyclo[2.2.1]heptane is sourced from PubChem (CID 58205875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).