2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene

C24H25F5 — CID 58665387

IUPAC2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene
SMILESCc1ccc(CCc2ccc(C3CCC(C=C(F)C(F)(F)F)CC3)c(F)c2)cc1
InChIInChI=1S/C24H25F5/c1-16-2-4-17(5-3-16)6-7-18-10-13-21(22(25)14-18)20-11-8-19(9-12-20)15-23(26)24(27,28)29/h2-5,10,13-15,19-20H,6-9,11-12H2,1H3
InChIKeyWDOISJIFIRSEAA-UHFFFAOYSA-N
MW408.45 g/mol
LogP7.61
Rot. Bonds5

About 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene

2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene (PubChem CID 58665387) has the molecular formula C24H25F5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene
PubChem CID58665387
Molecular FormulaC24H25F5
Molecular Weight408.45 g/mol
Exact Mass408.19
IUPAC Name2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene
SMILESCc1ccc(CCc2ccc(C3CCC(C=C(F)C(F)(F)F)CC3)c(F)c2)cc1
InChIInChI=1S/C24H25F5/c1-16-2-4-17(5-3-16)6-7-18-10-13-21(22(25)14-18)20-11-8-19(9-12-20)15-23(26)24(27,28)29/h2-5,10,13-15,19-20H,6-9,11-12H2,1H3
InChIKeyWDOISJIFIRSEAA-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene?
The IUPAC name of 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene (CID 58665387) is 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene.
What is the SMILES notation for 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene?
The canonical SMILES for 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene is Cc1ccc(CCc2ccc(C3CCC(C=C(F)C(F)(F)F)CC3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene?
The InChIKey is WDOISJIFIRSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F5/c1-16-2-4-17(5-3-16)6-7-18-10-13-21(22(25)14-18)20-11-8-19(9-12-20)15-23(26)24(27,28)29/h2-5,10,13-15,19-20H,6-9,11-12H2,1H3.
What are the key properties of 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene?
2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene has a molecular weight of 408.45 g/mol, XLogP of 7.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(4-methylphenyl)ethyl]-1-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene is sourced from PubChem (CID 58665387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).