1-(2,2-difluoroethoxy)-2-fluorobenzene

C8H7F3O — CID 64766194

IUPAC1-(2,2-difluoroethoxy)-2-fluorobenzene
SMILESFc1ccccc1OCC(F)F
InChIInChI=1S/C8H7F3O/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8H,5H2
InChIKeyFNTPAJMUTUUVME-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.47
Rot. Bonds3

About 1-(2,2-difluoroethoxy)-2-fluorobenzene

1-(2,2-difluoroethoxy)-2-fluorobenzene (PubChem CID 64766194) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2-fluorobenzene
PubChem CID64766194
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name1-(2,2-difluoroethoxy)-2-fluorobenzene
SMILESFc1ccccc1OCC(F)F
InChIInChI=1S/C8H7F3O/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8H,5H2
InChIKeyFNTPAJMUTUUVME-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 45496401
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
1-(2,2-difluoroethoxy)-2-phenylbenzene
CID 19593759
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
2-[(2-fluorophenoxy)methyl]butane-1,4-diol
CID 117236856
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-2-fluorobenzene?
The IUPAC name of 1-(2,2-difluoroethoxy)-2-fluorobenzene (CID 64766194) is 1-(2,2-difluoroethoxy)-2-fluorobenzene.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2-fluorobenzene?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2-fluorobenzene is Fc1ccccc1OCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2-fluorobenzene?
The InChIKey is FNTPAJMUTUUVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8H,5H2.
What are the key properties of 1-(2,2-difluoroethoxy)-2-fluorobenzene?
1-(2,2-difluoroethoxy)-2-fluorobenzene has a molecular weight of 176.14 g/mol, XLogP of 2.47, 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-fluorobenzene is sourced from PubChem (CID 64766194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).