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

C17H31F — CID 173391449

IUPAC1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2(C(C)F)CCCCC2)CC1
InChIInChI=1S/C17H31F/c1-3-7-15-8-10-16(11-9-15)17(14(2)18)12-5-4-6-13-17/h14-16H,3-13H2,1-2H3
InChIKeyOJVYKDRVHUYPNS-UHFFFAOYSA-N
MW254.43 g/mol
LogP5.90
Rot. Bonds4

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

1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane (PubChem CID 173391449) has the molecular formula C17H31F and a molecular weight of 254.43 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane
PubChem CID173391449
Molecular FormulaC17H31F
Molecular Weight254.43 g/mol
Exact Mass254.24
IUPAC Name1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2(C(C)F)CCCCC2)CC1
InChIInChI=1S/C17H31F/c1-3-7-15-8-10-16(11-9-15)17(14(2)18)12-5-4-6-13-17/h14-16H,3-13H2,1-2H3
InChIKeyOJVYKDRVHUYPNS-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.43
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane (CID 173391449) is 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2(C(C)F)CCCCC2)CC1.
What is the InChIKey of 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane?
The InChIKey is OJVYKDRVHUYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F/c1-3-7-15-8-10-16(11-9-15)17(14(2)18)12-5-4-6-13-17/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane?
1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane has a molecular weight of 254.43 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-1-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 173391449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).