1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene

C12H8F6 — CID 162618541

IUPAC1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C=Cc1ccc(C=CC(F)(F)F)cc1
InChIInChI=1S/C12H8F6/c13-11(14,15)7-5-9-1-2-10(4-3-9)6-8-12(16,17)18/h1-8H
InChIKeyIWGPEUZKRDKADE-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.84
Rot. Bonds2

About 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene

1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene (PubChem CID 162618541) has the molecular formula C12H8F6 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene
PubChem CID162618541
Molecular FormulaC12H8F6
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Name1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C=Cc1ccc(C=CC(F)(F)F)cc1
InChIInChI=1S/C12H8F6/c13-11(14,15)7-5-9-1-2-10(4-3-9)6-8-12(16,17)18/h1-8H
InChIKeyIWGPEUZKRDKADE-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(E)-3,3,3-trifluoroprop-1-enyl]benzonitrile
CID 10987201
4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene-1,2-diol
CID 102235179
1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 87167170
5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene
CID 139578347
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 74319750
5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one
CID 170167645
methyl 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzoate
CID 68702082
1-fluoro-4-[(E)-2-(trifluoromethylsulfanyl)ethenyl]benzene
CID 102585436
1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene
CID 123239605
1-methyl-4-[(E)-3-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-enyl]benzene
CID 71569630

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene?
The IUPAC name of 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene (CID 162618541) is 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene.
What is the SMILES notation for 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene?
The canonical SMILES for 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene is FC(F)(F)C=Cc1ccc(C=CC(F)(F)F)cc1.
What is the InChIKey of 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene?
The InChIKey is IWGPEUZKRDKADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6/c13-11(14,15)7-5-9-1-2-10(4-3-9)6-8-12(16,17)18/h1-8H.
What are the key properties of 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene?
1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene has a molecular weight of 266.18 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,3,3-trifluoroprop-1-enyl)benzene is sourced from PubChem (CID 162618541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).