1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene

C10H5F7 — CID 166974166

IUPAC1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene
SMILESC=C(C)c1c(F)c(F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C10H5F7/c1-3(2)4-6(11)5(10(15,16)17)8(13)9(14)7(4)12/h1H2,2H3
InChIKeyWMFXIZRSPAMRDC-UHFFFAOYSA-N
MW258.14 g/mol
LogP4.29
Rot. Bonds1

About 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene

1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene (PubChem CID 166974166) has the molecular formula C10H5F7 and a molecular weight of 258.14 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene
PubChem CID166974166
Molecular FormulaC10H5F7
Molecular Weight258.14 g/mol
Exact Mass258.03
IUPAC Name1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene
SMILESC=C(C)c1c(F)c(F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C10H5F7/c1-3(2)4-6(11)5(10(15,16)17)8(13)9(14)7(4)12/h1H2,2H3
InChIKeyWMFXIZRSPAMRDC-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene?
The IUPAC name of 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene (CID 166974166) is 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene is C=C(C)c1c(F)c(F)c(F)c(C(F)(F)F)c1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene?
The InChIKey is WMFXIZRSPAMRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7/c1-3(2)4-6(11)5(10(15,16)17)8(13)9(14)7(4)12/h1H2,2H3.
What are the key properties of 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene?
1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene has a molecular weight of 258.14 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene is sourced from PubChem (CID 166974166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).