1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene

C21H25F — CID 141212079

IUPAC1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccccc2C2CCCC(F)C2)cc1
InChIInChI=1S/C21H25F/c1-2-6-16-11-13-17(14-12-16)20-9-3-4-10-21(20)18-7-5-8-19(22)15-18/h3-4,9-14,18-19H,2,5-8,15H2,1H3
InChIKeyMUDDJBBJEIOYPY-UHFFFAOYSA-N
MW296.43 g/mol
LogP6.30
Rot. Bonds4

About 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene

1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene (PubChem CID 141212079) has the molecular formula C21H25F and a molecular weight of 296.43 g/mol. Its IUPAC name is 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene
PubChem CID141212079
Molecular FormulaC21H25F
Molecular Weight296.43 g/mol
Exact Mass296.19
IUPAC Name1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccccc2C2CCCC(F)C2)cc1
InChIInChI=1S/C21H25F/c1-2-6-16-11-13-17(14-12-16)20-9-3-4-10-21(20)18-7-5-8-19(22)15-18/h3-4,9-14,18-19H,2,5-8,15H2,1H3
InChIKeyMUDDJBBJEIOYPY-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.43
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene?
The IUPAC name of 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene (CID 141212079) is 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene.
What is the SMILES notation for 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene?
The canonical SMILES for 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene is CCCc1ccc(-c2ccccc2C2CCCC(F)C2)cc1.
What is the InChIKey of 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene?
The InChIKey is MUDDJBBJEIOYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F/c1-2-6-16-11-13-17(14-12-16)20-9-3-4-10-21(20)18-7-5-8-19(22)15-18/h3-4,9-14,18-19H,2,5-8,15H2,1H3.
What are the key properties of 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene?
1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene has a molecular weight of 296.43 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene is sourced from PubChem (CID 141212079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).