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

C20H28F4 — CID 168993279

IUPACethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
SMILESCC.CC.Cc1ccc(C(F)(F)F)cc1F.Cc1ccccc1C
InChIInChI=1S/C8H6F4.C8H10.2C2H6/c1-5-2-3-6(4-7(5)9)8(10,11)12;1-7-5-3-4-6-8(7)2;2*1-2/h2-4H,1H3;3-6H,1-2H3;2*1-2H3
InChIKeySTBPLKOGQKZNGV-UHFFFAOYSA-N
MW344.44 g/mol
LogP7.51
Rot. Bonds

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

ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene (PubChem CID 168993279) has the molecular formula C20H28F4 and a molecular weight of 344.44 g/mol. Its IUPAC name is ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene.

Molecular Properties

Compound Nameethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
PubChem CID168993279
Molecular FormulaC20H28F4
Molecular Weight344.44 g/mol
Exact Mass344.21
IUPAC Nameethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
SMILESCC.CC.Cc1ccc(C(F)(F)F)cc1F.Cc1ccccc1C
InChIInChI=1S/C8H6F4.C8H10.2C2H6/c1-5-2-3-6(4-7(5)9)8(10,11)12;1-7-5-3-4-6-8(7)2;2*1-2/h2-4H,1H3;3-6H,1-2H3;2*1-2H3
InChIKeySTBPLKOGQKZNGV-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
CID 145466180
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene
CID 20705742
1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene
CID 66706526
(3-fluoro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107128571
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275
2-(2-methylphenyl)-5-(trifluoromethyl)aniline
CID 114043492
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
2-(3-bromopropyl)-1-methyl-4-(trifluoromethyl)benzene
CID 134621822
tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
CID 102469414

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene?
The IUPAC name of ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene (CID 168993279) is ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene.
What is the SMILES notation for ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene?
The canonical SMILES for ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene is CC.CC.Cc1ccc(C(F)(F)F)cc1F.Cc1ccccc1C.
What is the InChIKey of ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene?
The InChIKey is STBPLKOGQKZNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4.C8H10.2C2H6/c1-5-2-3-6(4-7(5)9)8(10,11)12;1-7-5-3-4-6-8(7)2;2*1-2/h2-4H,1H3;3-6H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene?
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene has a molecular weight of 344.44 g/mol, XLogP of 7.51, 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;1,2-xylene is sourced from PubChem (CID 168993279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).