1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

C9H5F5 — CID 87167170

IUPAC1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESFc1cc(F)cc(/C=C/C(F)(F)F)c1
InChIInChI=1S/C9H5F5/c10-7-3-6(4-8(11)5-7)1-2-9(12,13)14/h1-5H/b2-1+
InChIKeyOUERNPGYCPXORW-OWOJBTEDSA-N
MW208.13 g/mol
LogP3.54
Rot. Bonds1

About 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 87167170) has the molecular formula C9H5F5 and a molecular weight of 208.13 g/mol. Its IUPAC name is 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID87167170
Molecular FormulaC9H5F5
Molecular Weight208.13 g/mol
Exact Mass208.03
IUPAC Name1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESFc1cc(F)cc(/C=C/C(F)(F)F)c1
InChIInChI=1S/C9H5F5/c10-7-3-6(4-8(11)5-7)1-2-9(12,13)14/h1-5H/b2-1+
InChIKeyOUERNPGYCPXORW-OWOJBTEDSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 87167170) is 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is Fc1cc(F)cc(/C=C/C(F)(F)F)c1.
What is the InChIKey of 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is OUERNPGYCPXORW-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H5F5/c10-7-3-6(4-8(11)5-7)1-2-9(12,13)14/h1-5H/b2-1+.
What are the key properties of 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 208.13 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 87167170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).