1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane

C17H31F — CID 18344046

IUPAC1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C17H31F/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18/h14-17H,2-13H2,1H3
InChIKeyZUDLUUUVYROEBI-UHFFFAOYSA-N
MW254.43 g/mol
LogP5.76
Rot. Bonds5

About 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane

1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18344046) has the molecular formula C17H31F and a molecular weight of 254.43 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18344046
Molecular FormulaC17H31F
Molecular Weight254.43 g/mol
Exact Mass254.24
IUPAC Name1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C17H31F/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18/h14-17H,2-13H2,1H3
InChIKeyZUDLUUUVYROEBI-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.43
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
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-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane (CID 18344046) is 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(CCF)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is ZUDLUUUVYROEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18/h14-17H,2-13H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 254.43 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18344046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).