2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene

C22H24F2 — CID 139452854

IUPAC2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene
SMILESC=C(C)C1CCC(c2ccc(-c3ccc(C)c(F)c3F)cc2)CC1
InChIInChI=1S/C22H24F2/c1-14(2)16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-4-15(3)21(23)22(20)24/h4,9-13,16-17H,1,5-8H2,2-3H3
InChIKeyPSAUKXZJOLHSAM-UHFFFAOYSA-N
MW326.43 g/mol
LogP6.79
Rot. Bonds3

About 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene

2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene (PubChem CID 139452854) has the molecular formula C22H24F2 and a molecular weight of 326.43 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene
PubChem CID139452854
Molecular FormulaC22H24F2
Molecular Weight326.43 g/mol
Exact Mass326.18
IUPAC Name2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene
SMILESC=C(C)C1CCC(c2ccc(-c3ccc(C)c(F)c3F)cc2)CC1
InChIInChI=1S/C22H24F2/c1-14(2)16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-4-15(3)21(23)22(20)24/h4,9-13,16-17H,1,5-8H2,2-3H3
InChIKeyPSAUKXZJOLHSAM-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.43
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 58058568
3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen
CID 158037623
3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene
CID 167572512
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
CID 159840923
1-[4-[4-[(2,3-difluorobenzene-4-id-1-yl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
CID 58058567
1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
CID 123167531
(2,3-difluoro-4-methylphenyl) 4-methylcyclohexane-1-carboxylate;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene
CID 91270931
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 159164555
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
CID 59791157

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene (CID 139452854) is 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene is C=C(C)C1CCC(c2ccc(-c3ccc(C)c(F)c3F)cc2)CC1.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene?
The InChIKey is PSAUKXZJOLHSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2/c1-14(2)16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-4-15(3)21(23)22(20)24/h4,9-13,16-17H,1,5-8H2,2-3H3.
What are the key properties of 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene?
2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene has a molecular weight of 326.43 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 139452854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).