1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C21H30F2 — CID 581325

IUPAC1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C21H30F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h12-18H,2-11H2,1H3
InChIKeyFSWZOZXLWVWJAH-UHFFFAOYSA-N
MW320.47 g/mol
LogP6.85
Rot. Bonds4

About 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 581325) has the molecular formula C21H30F2 and a molecular weight of 320.47 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID581325
Molecular FormulaC21H30F2
Molecular Weight320.47 g/mol
Exact Mass320.23
IUPAC Name1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C21H30F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h12-18H,2-11H2,1H3
InChIKeyFSWZOZXLWVWJAH-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 581325) is 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is FSWZOZXLWVWJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h12-18H,2-11H2,1H3.
What are the key properties of 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 320.47 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 581325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).