1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane

C18H32F2 — CID 10979033

IUPAC1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane
SMILESCCCC1(F)CCC(C2CCC(F)(CCC)CC2)CC1
InChIInChI=1S/C18H32F2/c1-3-9-17(19)11-5-15(6-12-17)16-7-13-18(20,10-4-2)14-8-16/h15-16H,3-14H2,1-2H3
InChIKeyZLIHBQIBELRDGS-UHFFFAOYSA-N
MW286.45 g/mol
LogP6.38
Rot. Bonds5

About 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane

1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane (PubChem CID 10979033) has the molecular formula C18H32F2 and a molecular weight of 286.45 g/mol. Its IUPAC name is 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane.

Molecular Properties

Compound Name1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane
PubChem CID10979033
Molecular FormulaC18H32F2
Molecular Weight286.45 g/mol
Exact Mass286.25
IUPAC Name1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane
SMILESCCCC1(F)CCC(C2CCC(F)(CCC)CC2)CC1
InChIInChI=1S/C18H32F2/c1-3-9-17(19)11-5-15(6-12-17)16-7-13-18(20,10-4-2)14-8-16/h15-16H,3-14H2,1-2H3
InChIKeyZLIHBQIBELRDGS-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.45
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane?
The IUPAC name of 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane (CID 10979033) is 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane.
What is the SMILES notation for 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane?
The canonical SMILES for 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane is CCCC1(F)CCC(C2CCC(F)(CCC)CC2)CC1.
What is the InChIKey of 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane?
The InChIKey is ZLIHBQIBELRDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2/c1-3-9-17(19)11-5-15(6-12-17)16-7-13-18(20,10-4-2)14-8-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane?
1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane has a molecular weight of 286.45 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-fluoro-4-propylcyclohexyl)-1-propylcyclohexane is sourced from PubChem (CID 10979033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).