ethane;1-methoxy-2-(trifluoromethyl)benzene

C10H13F3O — CID 143508037

IUPACethane;1-methoxy-2-(trifluoromethyl)benzene
SMILESCC.COc1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3O.C2H6/c1-12-7-5-3-2-4-6(7)8(9,10)11;1-2/h2-5H,1H3;1-2H3
InChIKeyFWZBGEYTRRJJIK-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.74
Rot. Bonds1

About ethane;1-methoxy-2-(trifluoromethyl)benzene

ethane;1-methoxy-2-(trifluoromethyl)benzene (PubChem CID 143508037) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is ethane;1-methoxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;1-methoxy-2-(trifluoromethyl)benzene
PubChem CID143508037
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Nameethane;1-methoxy-2-(trifluoromethyl)benzene
SMILESCC.COc1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3O.C2H6/c1-12-7-5-3-2-4-6(7)8(9,10)11;1-2/h2-5H,1H3;1-2H3
InChIKeyFWZBGEYTRRJJIK-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
trimethyl [2-(trifluoromethyl)phenyl] silicate
CID 174929764
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
3-chloro-1,1-difluoro-1-(2-methoxyphenyl)propan-2-one
CID 91927385
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
ethane;2-(trifluoromethyl)phenol
CID 142291947
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine
CID 10082529
O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine
CID 115022771

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-(trifluoromethyl)benzene?
The IUPAC name of ethane;1-methoxy-2-(trifluoromethyl)benzene (CID 143508037) is ethane;1-methoxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;1-methoxy-2-(trifluoromethyl)benzene?
The canonical SMILES for ethane;1-methoxy-2-(trifluoromethyl)benzene is CC.COc1ccccc1C(F)(F)F.
What is the InChIKey of ethane;1-methoxy-2-(trifluoromethyl)benzene?
The InChIKey is FWZBGEYTRRJJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C2H6/c1-12-7-5-3-2-4-6(7)8(9,10)11;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;1-methoxy-2-(trifluoromethyl)benzene?
ethane;1-methoxy-2-(trifluoromethyl)benzene has a molecular weight of 206.21 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 143508037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).