1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene

C9H5F5 — CID 165485333

IUPAC1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
SMILESF/C(=C/c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C9H5F5/c10-7-3-1-2-6(4-7)5-8(11)9(12,13)14/h1-5H/b8-5+
InChIKeyWXZVMAYTXGBHFS-VMPITWQZSA-N
MW208.13 g/mol
LogP3.70
Rot. Bonds1

About 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene

1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene (PubChem CID 165485333) has the molecular formula C9H5F5 and a molecular weight of 208.13 g/mol. Its IUPAC name is 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
PubChem CID165485333
Molecular FormulaC9H5F5
Molecular Weight208.13 g/mol
Exact Mass208.03
IUPAC Name1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
SMILESF/C(=C/c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C9H5F5/c10-7-3-1-2-6(4-7)5-8(11)9(12,13)14/h1-5H/b8-5+
InChIKeyWXZVMAYTXGBHFS-VMPITWQZSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-4-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
CID 125477686
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enamide
CID 143272339
5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol
CID 44563808
1-fluoro-3-(2-nitroprop-1-enyl)benzene
CID 74315808
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255
(2Z)-2-[(3-fluorophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 87902667
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
(3S,4S,5S,6R)-1,8-bis(3-fluorophenyl)octa-1,7-diene-2,3,4,5,6,7-hexol
CID 67463594
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene
CID 125476830

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene?
The IUPAC name of 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene (CID 165485333) is 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene is F/C(=C/c1cccc(F)c1)C(F)(F)F.
What is the InChIKey of 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene?
The InChIKey is WXZVMAYTXGBHFS-VMPITWQZSA-N. The full InChI is InChI=1S/C9H5F5/c10-7-3-1-2-6(4-7)5-8(11)9(12,13)14/h1-5H/b8-5+.
What are the key properties of 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene?
1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene has a molecular weight of 208.13 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene is sourced from PubChem (CID 165485333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).