ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene

C18H18F8 — CID 145466180

IUPACethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
SMILESCC.Cc1ccc(C(F)(F)F)cc1F.Cc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/2C8H6F4.C2H6/c1-5-2-3-6(9)4-7(5)8(10,11)12;1-5-2-3-6(4-7(5)9)8(10,11)12;1-2/h2*2-4H,1H3;1-2H3
InChIKeyJBDNGYTZNHZSOB-UHFFFAOYSA-N
MW386.33 g/mol
LogP7.33
Rot. Bonds

About ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene

ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene (PubChem CID 145466180) has the molecular formula C18H18F8 and a molecular weight of 386.33 g/mol. Its IUPAC name is ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
PubChem CID145466180
Molecular FormulaC18H18F8
Molecular Weight386.33 g/mol
Exact Mass386.13
IUPAC Nameethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
SMILESCC.Cc1ccc(C(F)(F)F)cc1F.Cc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/2C8H6F4.C2H6/c1-5-2-3-6(9)4-7(5)8(10,11)12;1-5-2-3-6(4-7(5)9)8(10,11)12;1-2/h2*2-4H,1H3;1-2H3
InChIKeyJBDNGYTZNHZSOB-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene (CID 145466180) is ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene is CC.Cc1ccc(C(F)(F)F)cc1F.Cc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is JBDNGYTZNHZSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6F4.C2H6/c1-5-2-3-6(9)4-7(5)8(10,11)12;1-5-2-3-6(4-7(5)9)8(10,11)12;1-2/h2*2-4H,1H3;1-2H3.
What are the key properties of ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene?
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 386.33 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 145466180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).