1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene

C9H9F3O — CID 104853711

IUPAC1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
SMILESCc1cccc(OCC(F)F)c1F
InChIInChI=1S/C9H9F3O/c1-6-3-2-4-7(9(6)12)13-5-8(10)11/h2-4,8H,5H2,1H3
InChIKeyPNYCBODTXNMCEO-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.78
Rot. Bonds3

About 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene

1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene (PubChem CID 104853711) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
PubChem CID104853711
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
SMILESCc1cccc(OCC(F)F)c1F
InChIInChI=1S/C9H9F3O/c1-6-3-2-4-7(9(6)12)13-5-8(10)11/h2-4,8H,5H2,1H3
InChIKeyPNYCBODTXNMCEO-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
CID 107659711
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
CID 107660344
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228818
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107657511
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene?
The IUPAC name of 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene (CID 104853711) is 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene is Cc1cccc(OCC(F)F)c1F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene?
The InChIKey is PNYCBODTXNMCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-6-3-2-4-7(9(6)12)13-5-8(10)11/h2-4,8H,5H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene?
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene has a molecular weight of 190.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene is sourced from PubChem (CID 104853711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).