1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene

C16H8F8 — CID 132603934

IUPAC1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene
SMILESFc1ccc(C(=C(C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H8F8/c17-11-5-1-9(2-6-11)13(10-3-7-12(18)8-4-10)14(15(19,20)21)16(22,23)24/h1-8H
InChIKeyMBGISPDILSUBHM-UHFFFAOYSA-N
MW352.22 g/mol
LogP5.89
Rot. Bonds2

About 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene

1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene (PubChem CID 132603934) has the molecular formula C16H8F8 and a molecular weight of 352.22 g/mol. Its IUPAC name is 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene
PubChem CID132603934
Molecular FormulaC16H8F8
Molecular Weight352.22 g/mol
Exact Mass352.05
IUPAC Name1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene
SMILESFc1ccc(C(=C(C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H8F8/c17-11-5-1-9(2-6-11)13(10-3-7-12(18)8-4-10)14(15(19,20)21)16(22,23)24/h1-8H
InChIKeyMBGISPDILSUBHM-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.22
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol
CID 15133048
1-(4-fluorophenyl)ethenylsilane
CID 175020263
1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
CID 21274917
1-chloro-4-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]benzene
CID 11715966
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428
1-buta-1,3-dien-2-yl-4-fluorobenzene
CID 45090452
1,4-difluorobenzene bromide
CID 21301175
1-fluoro-4-[1,2,4-tris(4-fluorophenyl)but-1-en-3-ynyl]benzene
CID 45277382
chloromethane;4-fluorobenzamide
CID 158476805
1-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]-4-methoxybenzene
CID 11623099
1-(4-fluorophenyl)-3,3-bis(methylsulfanyl)-2-(trifluoromethyl)prop-2-en-1-one
CID 163213333

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene?
The IUPAC name of 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene (CID 132603934) is 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene is Fc1ccc(C(=C(C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene?
The InChIKey is MBGISPDILSUBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F8/c17-11-5-1-9(2-6-11)13(10-3-7-12(18)8-4-10)14(15(19,20)21)16(22,23)24/h1-8H.
What are the key properties of 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene?
1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene has a molecular weight of 352.22 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene is sourced from PubChem (CID 132603934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).