1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane

C19H35F — CID 54278604

IUPAC1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane
SMILESCCCC(C)C1(C2CCCCC2)CCC(CCF)CC1
InChIInChI=1S/C19H35F/c1-3-7-16(2)19(18-8-5-4-6-9-18)13-10-17(11-14-19)12-15-20/h16-18H,3-15H2,1-2H3
InChIKeyRPERDJDOABYXRR-UHFFFAOYSA-N
MW282.49 g/mol
LogP6.54
Rot. Bonds6

About 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane

1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane (PubChem CID 54278604) has the molecular formula C19H35F and a molecular weight of 282.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane
PubChem CID54278604
Molecular FormulaC19H35F
Molecular Weight282.49 g/mol
Exact Mass282.27
IUPAC Name1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane
SMILESCCCC(C)C1(C2CCCCC2)CCC(CCF)CC1
InChIInChI=1S/C19H35F/c1-3-7-16(2)19(18-8-5-4-6-9-18)13-10-17(11-14-19)12-15-20/h16-18H,3-15H2,1-2H3
InChIKeyRPERDJDOABYXRR-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-cyclohexyl-4-pentan-2-ylcyclohexan-1-one
CID 45073577
1-pentan-2-ylbicyclo[3.1.0]hexane
CID 147905312
1-butan-2-yl-1-cyclopentylcyclopentane;silane
CID 160938684
2-fluoroethylcyclodecane
CID 70177675
1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane
CID 173391449
1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene
CID 70397972
2-(1-cyclohexyl-4-ethylcyclohexyl)-2-(4-heptylcyclohexyl)acetaldehyde
CID 88668313
(4-butyl-1-cycloheptylcyclohexyl)methanamine
CID 82933672
1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene
CID 67785014
4-butyl-1-(chloromethyl)-1-pentan-2-ylcyclohexane
CID 107893115
4-butyl-1-cycloheptylcyclohexane-1-carboxylic acid
CID 82929194
1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane
CID 173089072

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane?
The IUPAC name of 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane (CID 54278604) is 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane?
The canonical SMILES for 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane is CCCC(C)C1(C2CCCCC2)CCC(CCF)CC1.
What is the InChIKey of 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane?
The InChIKey is RPERDJDOABYXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F/c1-3-7-16(2)19(18-8-5-4-6-9-18)13-10-17(11-14-19)12-15-20/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane?
1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane has a molecular weight of 282.49 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane is sourced from PubChem (CID 54278604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).