1,3-bis(difluoromethoxy)-2-methylbenzene;ethane

C11H14F4O2 — CID 145191188

IUPAC1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
SMILESCC.Cc1c(OC(F)F)cccc1OC(F)F
InChIInChI=1S/C9H8F4O2.C2H6/c1-5-6(14-8(10)11)3-2-4-7(5)15-9(12)13;1-2/h2-4,8-9H,1H3;1-2H3
InChIKeyBUZDPTWUJKISNC-UHFFFAOYSA-N
MW254.22 g/mol
LogP4.22
Rot. Bonds4

About 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane

1,3-bis(difluoromethoxy)-2-methylbenzene;ethane (PubChem CID 145191188) has the molecular formula C11H14F4O2 and a molecular weight of 254.22 g/mol. Its IUPAC name is 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane.

Molecular Properties

Compound Name1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
PubChem CID145191188
Molecular FormulaC11H14F4O2
Molecular Weight254.22 g/mol
Exact Mass254.09
IUPAC Name1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
SMILESCC.Cc1c(OC(F)F)cccc1OC(F)F
InChIInChI=1S/C9H8F4O2.C2H6/c1-5-6(14-8(10)11)3-2-4-7(5)15-9(12)13;1-2/h2-4,8-9H,1H3;1-2H3
InChIKeyBUZDPTWUJKISNC-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
1-bromo-3-[3-(difluoromethoxy)-2-methylphenyl]propan-2-one
CID 134616416
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125
1-(difluoromethoxy)-6,7-dimethylnaphthalene
CID 56838953
1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
CID 118820826
[2-(difluoromethoxy)phenyl]-(2,3-dimethylphenyl)methanol
CID 63895942
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
3-(difluoromethoxy)-2-fluoropyridine
CID 74892042
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane?
The IUPAC name of 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane (CID 145191188) is 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane.
What is the SMILES notation for 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane?
The canonical SMILES for 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane is CC.Cc1c(OC(F)F)cccc1OC(F)F.
What is the InChIKey of 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane?
The InChIKey is BUZDPTWUJKISNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2.C2H6/c1-5-6(14-8(10)11)3-2-4-7(5)15-9(12)13;1-2/h2-4,8-9H,1H3;1-2H3.
What are the key properties of 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane?
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane has a molecular weight of 254.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(difluoromethoxy)-2-methylbenzene;ethane is sourced from PubChem (CID 145191188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).