5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

C17H12F6 — CID 59247138

IUPAC5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCCc1ccc(-c2cc(F)c(/C=C/C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C17H12F6/c1-2-10-3-4-12(14(18)7-10)11-8-15(19)13(16(20)9-11)5-6-17(21,22)23/h3-9H,2H2,1H3/b6-5+
InChIKeyFCGHBBOFQHTKLG-AATRIKPKSA-N
MW330.27 g/mol
LogP5.91
Rot. Bonds3

About 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 59247138) has the molecular formula C17H12F6 and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID59247138
Molecular FormulaC17H12F6
Molecular Weight330.27 g/mol
Exact Mass330.08
IUPAC Name5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCCc1ccc(-c2cc(F)c(/C=C/C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C17H12F6/c1-2-10-3-4-12(14(18)7-10)11-8-15(19)13(16(20)9-11)5-6-17(21,22)23/h3-9H,2H2,1H3/b6-5+
InChIKeyFCGHBBOFQHTKLG-AATRIKPKSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247520
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-5-(2-fluoro-4-propylphenyl)pyrimidine
CID 59247662
1,3-difluoro-5-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59246928
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentan-2-ylphenyl)phenyl]phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 162555869
[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-3-fluorophenyl] 4-pentylbenzoate
CID 59247696
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene
CID 162555856
1,3-difluoro-5-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 88999003
1,3-difluoro-5-[4-(2-fluoro-4-pentan-2-ylphenyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 162555824
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5-(4-ethyl-2-fluorophenyl)-1,3-difluorobenzene
CID 59247102
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 59247083
1,3-difluoro-5-[4-(4-methylphenyl)butyl]-2-(3,3,3-trifluoroprop-1-enyl)benzene
CID 89134649

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 59247138) is 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is CCc1ccc(-c2cc(F)c(/C=C/C(F)(F)F)c(F)c2)c(F)c1.
What is the InChIKey of 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is FCGHBBOFQHTKLG-AATRIKPKSA-N. The full InChI is InChI=1S/C17H12F6/c1-2-10-3-4-12(14(18)7-10)11-8-15(19)13(16(20)9-11)5-6-17(21,22)23/h3-9H,2H2,1H3/b6-5+.
What are the key properties of 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 330.27 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 59247138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).