1-(difluoromethoxy)-3,5-dimethylbenzene;ethane

C11H16F2O — CID 144663718

IUPAC1-(difluoromethoxy)-3,5-dimethylbenzene;ethane
SMILESCC.Cc1cc(C)cc(OC(F)F)c1
InChIInChI=1S/C9H10F2O.C2H6/c1-6-3-7(2)5-8(4-6)12-9(10)11;1-2/h3-5,9H,1-2H3;1-2H3
InChIKeyUTNZFOHTWWNTNQ-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.93
Rot. Bonds2

About 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane

1-(difluoromethoxy)-3,5-dimethylbenzene;ethane (PubChem CID 144663718) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane.

Molecular Properties

Compound Name1-(difluoromethoxy)-3,5-dimethylbenzene;ethane
PubChem CID144663718
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name1-(difluoromethoxy)-3,5-dimethylbenzene;ethane
SMILESCC.Cc1cc(C)cc(OC(F)F)c1
InChIInChI=1S/C9H10F2O.C2H6/c1-6-3-7(2)5-8(4-6)12-9(10)11;1-2/h3-5,9H,1-2H3;1-2H3
InChIKeyUTNZFOHTWWNTNQ-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethoxy)-5-methylphenyl]thiolan-1-ium
CID 165064999
4-(difluoromethoxy)-2,6-dimethylaniline;hydrochloride
CID 117071645
4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
CID 131524664
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
ethane;1,3,5-trimethylbenzene
CID 91530079
difluoromethoxybenzene;ethane
CID 142246454
1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine
CID 177205441
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
CID 58839694
3-(difluoromethoxy)-5-fluoroaniline
CID 122199503
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane?
The IUPAC name of 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane (CID 144663718) is 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane.
What is the SMILES notation for 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane?
The canonical SMILES for 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane is CC.Cc1cc(C)cc(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane?
The InChIKey is UTNZFOHTWWNTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O.C2H6/c1-6-3-7(2)5-8(4-6)12-9(10)11;1-2/h3-5,9H,1-2H3;1-2H3.
What are the key properties of 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane?
1-(difluoromethoxy)-3,5-dimethylbenzene;ethane has a molecular weight of 202.24 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3,5-dimethylbenzene;ethane is sourced from PubChem (CID 144663718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).