1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene

C11H10F2O2 — CID 156627016

IUPAC1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
SMILESCOC#Cc1ccc(OCC(F)F)cc1
InChIInChI=1S/C11H10F2O2/c1-14-7-6-9-2-4-10(5-3-9)15-8-11(12)13/h2-5,11H,8H2,1H3
InChIKeyXHRKZHHXAINNNN-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.29
Rot. Bonds3

About 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene

1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene (PubChem CID 156627016) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
PubChem CID156627016
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
SMILESCOC#Cc1ccc(OCC(F)F)cc1
InChIInChI=1S/C11H10F2O2/c1-14-7-6-9-2-4-10(5-3-9)15-8-11(12)13/h2-5,11H,8H2,1H3
InChIKeyXHRKZHHXAINNNN-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,2-difluoroethoxy)phenyl]propanenitrile
CID 84781478
1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
CID 60921505
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
[4-(2,2-difluoroethoxy)phenyl]thiourea
CID 169358688
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
CID 50896716
2-[4-(2,2-difluoroethoxy)phenyl]-3-methylbutanoic acid
CID 57255635
2-fluoro-3-(4-methoxyphenoxy)propan-1-amine
CID 105452034
1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene
CID 146373657
3-[2-(2,2-difluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706494
4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
CID 71758116

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene?
The IUPAC name of 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene (CID 156627016) is 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene?
The canonical SMILES for 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene is COC#Cc1ccc(OCC(F)F)cc1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene?
The InChIKey is XHRKZHHXAINNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-14-7-6-9-2-4-10(5-3-9)15-8-11(12)13/h2-5,11H,8H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene?
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene has a molecular weight of 212.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene is sourced from PubChem (CID 156627016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).