1-(difluoromethoxy)-2-ethyl-3-methylbenzene

C10H12F2O — CID 118269125

IUPAC1-(difluoromethoxy)-2-ethyl-3-methylbenzene
SMILESCCc1c(C)cccc1OC(F)F
InChIInChI=1S/C10H12F2O/c1-3-8-7(2)5-4-6-9(8)13-10(11)12/h4-6,10H,3H2,1-2H3
InChIKeyFBISONNJMRAUBA-UHFFFAOYSA-N
MW186.20 g/mol
LogP3.16
Rot. Bonds3

About 1-(difluoromethoxy)-2-ethyl-3-methylbenzene

1-(difluoromethoxy)-2-ethyl-3-methylbenzene (PubChem CID 118269125) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-ethyl-3-methylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-ethyl-3-methylbenzene
PubChem CID118269125
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1-(difluoromethoxy)-2-ethyl-3-methylbenzene
SMILESCCc1c(C)cccc1OC(F)F
InChIInChI=1S/C10H12F2O/c1-3-8-7(2)5-4-6-9(8)13-10(11)12/h4-6,10H,3H2,1-2H3
InChIKeyFBISONNJMRAUBA-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
CID 118835704
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
1-(difluoromethoxy)-3-methyl-2-propylbenzene;2,2-dimethylpropane;2-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 171643818
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885
(2-ethyl-3-methylphenyl) hydrogen carbonate
CID 57357768
(2-ethyl-3-methylphenyl) hydrogen sulfite
CID 68928017
4-(2-ethyl-3-methylphenoxy)-1,1,1-trifluorobutan-2-amine
CID 118408678
8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine
CID 62195939
1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 118836110
1,5-bis(difluoromethoxy)naphthalene
CID 166641341

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-ethyl-3-methylbenzene?
The IUPAC name of 1-(difluoromethoxy)-2-ethyl-3-methylbenzene (CID 118269125) is 1-(difluoromethoxy)-2-ethyl-3-methylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-ethyl-3-methylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-2-ethyl-3-methylbenzene is CCc1c(C)cccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-ethyl-3-methylbenzene?
The InChIKey is FBISONNJMRAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-3-8-7(2)5-4-6-9(8)13-10(11)12/h4-6,10H,3H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-2-ethyl-3-methylbenzene?
1-(difluoromethoxy)-2-ethyl-3-methylbenzene has a molecular weight of 186.20 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-ethyl-3-methylbenzene is sourced from PubChem (CID 118269125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).