1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene

C17H9F9 — CID 87996526

IUPAC1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESC=C(c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H9F9/c1-9(10-2-4-12(5-3-10)15(18,19)20)11-6-13(16(21,22)23)8-14(7-11)17(24,25)26/h2-8H,1H2
InChIKeyOANFLJHYRCRHSA-UHFFFAOYSA-N
MW384.24 g/mol
LogP6.80
Rot. Bonds2

About 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene

1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene (PubChem CID 87996526) has the molecular formula C17H9F9 and a molecular weight of 384.24 g/mol. Its IUPAC name is 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
PubChem CID87996526
Molecular FormulaC17H9F9
Molecular Weight384.24 g/mol
Exact Mass384.06
IUPAC Name1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESC=C(c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H9F9/c1-9(10-2-4-12(5-3-10)15(18,19)20)11-6-13(16(21,22)23)8-14(7-11)17(24,25)26/h2-8H,1H2
InChIKeyOANFLJHYRCRHSA-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
1-(trifluoromethyl)-4-[(Z)-2-[4-[1-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-1-[4-[(Z)-2-[4-(trifluoromethyl)phenyl]-2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 177464868
1-(3-fluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 154323522
bis[3,5-bis(trifluoromethyl)phenyl]methylidenezirconium(2+)
CID 87101400
copper bis(3,5-bis(trifluoromethyl)benzoate)
CID 102509886
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
sodium 3,5-bis(trifluoromethyl)benzoate
CID 23682278
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
CID 87195760
CID 101352816
CID 101352816
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene (CID 87996526) is 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene is C=C(c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The InChIKey is OANFLJHYRCRHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F9/c1-9(10-2-4-12(5-3-10)15(18,19)20)11-6-13(16(21,22)23)8-14(7-11)17(24,25)26/h2-8H,1H2.
What are the key properties of 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene has a molecular weight of 384.24 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 87996526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).