carbon dioxide;1-fluoro-2-methoxybenzene

C8H7FO3 — CID 159972007

IUPACcarbon dioxide;1-fluoro-2-methoxybenzene
SMILESCOc1ccccc1F.O=C=O
InChIInChI=1S/C7H7FO.CO2/c1-9-7-5-3-2-4-6(7)8;2-1-3/h2-5H,1H3;
InChIKeyOEQYIVCRAYZNIH-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.25
Rot. Bonds1

About carbon dioxide;1-fluoro-2-methoxybenzene

carbon dioxide;1-fluoro-2-methoxybenzene (PubChem CID 159972007) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is carbon dioxide;1-fluoro-2-methoxybenzene.

Molecular Properties

Compound Namecarbon dioxide;1-fluoro-2-methoxybenzene
PubChem CID159972007
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Namecarbon dioxide;1-fluoro-2-methoxybenzene
SMILESCOc1ccccc1F.O=C=O
InChIInChI=1S/C7H7FO.CO2/c1-9-7-5-3-2-4-6(7)8;2-1-3/h2-5H,1H3;
InChIKeyOEQYIVCRAYZNIH-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,2-dimethoxybenzene;dihydrochloride
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1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
(2-fluoro-6-methoxyphenyl)boronic acid
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1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
(2-fluorophenyl) 2-fluoro-4,5-dimethoxybenzenesulfonate
CID 35289930
1-fluoro-2-methoxybenzene;5-methyloxolane-2-carboxylic acid
CID 176996277
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
CID 102002675
CID 102002675

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-fluoro-2-methoxybenzene?
The IUPAC name of carbon dioxide;1-fluoro-2-methoxybenzene (CID 159972007) is carbon dioxide;1-fluoro-2-methoxybenzene.
What is the SMILES notation for carbon dioxide;1-fluoro-2-methoxybenzene?
The canonical SMILES for carbon dioxide;1-fluoro-2-methoxybenzene is COc1ccccc1F.O=C=O.
What is the InChIKey of carbon dioxide;1-fluoro-2-methoxybenzene?
The InChIKey is OEQYIVCRAYZNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO.CO2/c1-9-7-5-3-2-4-6(7)8;2-1-3/h2-5H,1H3;.
What are the key properties of carbon dioxide;1-fluoro-2-methoxybenzene?
carbon dioxide;1-fluoro-2-methoxybenzene has a molecular weight of 170.14 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-fluoro-2-methoxybenzene is sourced from PubChem (CID 159972007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).