1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene

C26H25F — CID 166651083

IUPAC1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene
SMILESFc1cc(-c2ccc(CC3CC3)cc2)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C26H25F/c27-26-17-24(22-8-6-19(7-9-22)16-18-4-5-18)14-15-25(26)23-12-10-21(11-13-23)20-2-1-3-20/h6-15,17-18,20H,1-5,16H2
InChIKeyXAYRNJUNMZKYKE-UHFFFAOYSA-N
MW356.48 g/mol
LogP7.38
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene

1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene (PubChem CID 166651083) has the molecular formula C26H25F and a molecular weight of 356.48 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene
PubChem CID166651083
Molecular FormulaC26H25F
Molecular Weight356.48 g/mol
Exact Mass356.19
IUPAC Name1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene
SMILESFc1cc(-c2ccc(CC3CC3)cc2)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C26H25F/c27-26-17-24(22-8-6-19(7-9-22)16-18-4-5-18)14-15-25(26)23-12-10-21(11-13-23)20-2-1-3-20/h6-15,17-18,20H,1-5,16H2
InChIKeyXAYRNJUNMZKYKE-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.48
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene
CID 134447488
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
CID 90971028
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
CID 81431702
1-(4-but-2-enylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 158452462
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
CID 158616323
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
CID 166999626
5-[4-[4-(cyclopropylmethyl)phenyl]-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 159752884
4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene
CID 140843040

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene?
The IUPAC name of 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene (CID 166651083) is 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene?
The canonical SMILES for 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene is Fc1cc(-c2ccc(CC3CC3)cc2)ccc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene?
The InChIKey is XAYRNJUNMZKYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F/c27-26-17-24(22-8-6-19(7-9-22)16-18-4-5-18)14-15-25(26)23-12-10-21(11-13-23)20-2-1-3-20/h6-15,17-18,20H,1-5,16H2.
What are the key properties of 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene?
1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene has a molecular weight of 356.48 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene is sourced from PubChem (CID 166651083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).