ethane;1-methyl-3-(trifluoromethoxy)benzene

C12H19F3O — CID 142064343

IUPACethane;1-methyl-3-(trifluoromethoxy)benzene
SMILESCC.CC.Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H7F3O.2C2H6/c1-6-3-2-4-7(5-6)12-8(9,10)11;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyICMTYSXVNWQTJL-UHFFFAOYSA-N
MW236.28 g/mol
LogP4.95
Rot. Bonds1

About ethane;1-methyl-3-(trifluoromethoxy)benzene

ethane;1-methyl-3-(trifluoromethoxy)benzene (PubChem CID 142064343) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethoxy)benzene
PubChem CID142064343
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Nameethane;1-methyl-3-(trifluoromethoxy)benzene
SMILESCC.CC.Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H7F3O.2C2H6/c1-6-3-2-4-7(5-6)12-8(9,10)11;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyICMTYSXVNWQTJL-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride
CID 161048134
(3-methylphenyl)-phenyl-[3-(trifluoromethoxy)phenyl]sulfanium
CID 165011553
1-(1,1-difluoropropoxy)-3-methylbenzene
CID 67588241
ethane;3-(trifluoromethoxy)phenol
CID 143201974
1-methyl-3-(trichloromethoxy)benzene
CID 21412926
1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene
CID 152766839
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
1-(2-methoxypropan-2-yloxy)-3-methylbenzene
CID 141192093
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethoxy)benzene?
The IUPAC name of ethane;1-methyl-3-(trifluoromethoxy)benzene (CID 142064343) is ethane;1-methyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethoxy)benzene is CC.CC.Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethoxy)benzene?
The InChIKey is ICMTYSXVNWQTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.2C2H6/c1-6-3-2-4-7(5-6)12-8(9,10)11;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethoxy)benzene?
ethane;1-methyl-3-(trifluoromethoxy)benzene has a molecular weight of 236.28 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 142064343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).