ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene

C19H26F4O — CID 144678762

IUPACethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
SMILESCC.CC.Cc1ccc(F)cc1.Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3O.C7H7F.2C2H6/c1-6-2-4-7(5-3-6)12-8(9,10)11;1-6-2-4-7(8)5-3-6;2*1-2/h2-5H,1H3;2-5H,1H3;2*1-2H3
InChIKeyIAFQXZBUDNBADN-UHFFFAOYSA-N
MW346.41 g/mol
LogP7.08
Rot. Bonds1

About ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene

ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene (PubChem CID 144678762) has the molecular formula C19H26F4O and a molecular weight of 346.41 g/mol. Its IUPAC name is ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
PubChem CID144678762
Molecular FormulaC19H26F4O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Nameethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
SMILESCC.CC.Cc1ccc(F)cc1.Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3O.C7H7F.2C2H6/c1-6-2-4-7(5-3-6)12-8(9,10)11;1-6-2-4-7(8)5-3-6;2*1-2/h2-5H,1H3;2-5H,1H3;2*1-2H3
InChIKeyIAFQXZBUDNBADN-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
methanamine;1-methyl-4-(trifluoromethoxy)benzene
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CID 176686233
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
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(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane
CID 162561670
2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
CID 67122277
1-[chloro(difluoro)methoxy]-4-fluorobenzene
CID 15681633
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene?
The IUPAC name of ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene (CID 144678762) is ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene is CC.CC.Cc1ccc(F)cc1.Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene?
The InChIKey is IAFQXZBUDNBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C7H7F.2C2H6/c1-6-2-4-7(5-3-6)12-8(9,10)11;1-6-2-4-7(8)5-3-6;2*1-2/h2-5H,1H3;2-5H,1H3;2*1-2H3.
What are the key properties of ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene?
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene has a molecular weight of 346.41 g/mol, XLogP of 7.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 144678762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).