difluoromethoxybenzene;ethane

C9H12F2O — CID 142246454

IUPACdifluoromethoxybenzene;ethane
SMILESCC.FC(F)Oc1ccccc1
InChIInChI=1S/C7H6F2O.C2H6/c8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H3
InChIKeyWJPKQEKNXJFYRK-UHFFFAOYSA-N
MW174.19 g/mol
LogP3.31
Rot. Bonds2

About difluoromethoxybenzene;ethane

difluoromethoxybenzene;ethane (PubChem CID 142246454) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is difluoromethoxybenzene;ethane.

Molecular Properties

Compound Namedifluoromethoxybenzene;ethane
PubChem CID142246454
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Namedifluoromethoxybenzene;ethane
SMILESCC.FC(F)Oc1ccccc1
InChIInChI=1S/C7H6F2O.C2H6/c8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H3
InChIKeyWJPKQEKNXJFYRK-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
[(1R)-1-fluoroethoxy]benzene
CID 175733278
ethane;phenyl hypofluorite
CID 143612065
1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
CID 145445557
1-phenoxyethanol
CID 66611531
[3-(difluoromethoxy)phenyl]-diphenylsulfanium
CID 176874096
1-phenoxyethanol;trihydrate
CID 175915128
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium
CID 22007900
[4-(difluoromethoxy)phenyl]boronic acid;ethane
CID 169213308
chloroform;1-phenoxyethanol
CID 160851082
1-methoxyethoxybenzene
CID 18188895

Frequently Asked Questions

What is the IUPAC name of difluoromethoxybenzene;ethane?
The IUPAC name of difluoromethoxybenzene;ethane (CID 142246454) is difluoromethoxybenzene;ethane.
What is the SMILES notation for difluoromethoxybenzene;ethane?
The canonical SMILES for difluoromethoxybenzene;ethane is CC.FC(F)Oc1ccccc1.
What is the InChIKey of difluoromethoxybenzene;ethane?
The InChIKey is WJPKQEKNXJFYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O.C2H6/c8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H3.
What are the key properties of difluoromethoxybenzene;ethane?
difluoromethoxybenzene;ethane has a molecular weight of 174.19 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethoxybenzene;ethane is sourced from PubChem (CID 142246454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).