1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane

C23H41F — CID 18344057

IUPAC1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C23H41F/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24/h18-23H,2-17H2,1H3
InChIKeyVAZLOYVALFKBBC-UHFFFAOYSA-N
MW336.58 g/mol
LogP7.57
Rot. Bonds6

About 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane

1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18344057) has the molecular formula C23H41F and a molecular weight of 336.58 g/mol. Its IUPAC name is 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18344057
Molecular FormulaC23H41F
Molecular Weight336.58 g/mol
Exact Mass336.32
IUPAC Name1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1
InChIInChI=1S/C23H41F/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24/h18-23H,2-17H2,1H3
InChIKeyVAZLOYVALFKBBC-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.58
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18343974
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983
3-propylbicyclo[4.2.0]octane
CID 145186098
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane (CID 18344057) is 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(C3CCC(CCF)CC3)CC2)CC1.
What is the InChIKey of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is VAZLOYVALFKBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41F/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24/h18-23H,2-17H2,1H3.
What are the key properties of 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 336.58 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18344057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).