ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene

C10H6F10 — CID 145102025

IUPACethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
SMILESCC.Fc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C8F10.C2H6/c9-3-1(7(13,14)15)4(10)6(12)5(11)2(3)8(16,17)18;1-2/h;1-2H3
InChIKeyHCUAZHGPHQLDQA-UHFFFAOYSA-N
MW316.14 g/mol
LogP5.31
Rot. Bonds

About ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene

ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene (PubChem CID 145102025) has the molecular formula C10H6F10 and a molecular weight of 316.14 g/mol. Its IUPAC name is ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
PubChem CID145102025
Molecular FormulaC10H6F10
Molecular Weight316.14 g/mol
Exact Mass316.03
IUPAC Nameethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
SMILESCC.Fc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C8F10.C2H6/c9-3-1(7(13,14)15)4(10)6(12)5(11)2(3)8(16,17)18;1-2/h;1-2H3
InChIKeyHCUAZHGPHQLDQA-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.14
LogP ≤ 55.31
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'}

Analyze ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)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

1,2,3,4,5,6,8-heptafluoro-7-(trifluoromethyl)naphthalene
CID 4313794
1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene
CID 178120433
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 177256045
1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene
CID 174560482
1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene
CID 169121749
[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
CID 154500712
1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene
CID 166974166
1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene
CID 139900087
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
CID 90973259
1,2,4-trifluoro-3,5-dimethyl-6-(trifluoromethyl)benzene
CID 146848679
triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium
CID 158335368
ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
CID 88850684

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene?
The IUPAC name of ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene (CID 145102025) is ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene.
What is the SMILES notation for ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene?
The canonical SMILES for ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene is CC.Fc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1F.
What is the InChIKey of ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene?
The InChIKey is HCUAZHGPHQLDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F10.C2H6/c9-3-1(7(13,14)15)4(10)6(12)5(11)2(3)8(16,17)18;1-2/h;1-2H3.
What are the key properties of ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene?
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene has a molecular weight of 316.14 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene is sourced from PubChem (CID 145102025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).