1-fluoro-4-(fluoromethoxy)-2-methoxybenzene

C8H8F2O2 — CID 118227774

IUPAC1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
SMILESCOc1cc(OCF)ccc1F
InChIInChI=1S/C8H8F2O2/c1-11-8-4-6(12-5-9)2-3-7(8)10/h2-4H,5H2,1H3
InChIKeyUPSMPJVWCHKZKF-UHFFFAOYSA-N
MW174.15 g/mol
LogP2.14
Rot. Bonds3

About 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene

1-fluoro-4-(fluoromethoxy)-2-methoxybenzene (PubChem CID 118227774) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
PubChem CID118227774
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
SMILESCOc1cc(OCF)ccc1F
InChIInChI=1S/C8H8F2O2/c1-11-8-4-6(12-5-9)2-3-7(8)10/h2-4H,5H2,1H3
InChIKeyUPSMPJVWCHKZKF-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methoxyphenoxy)ethanamine
CID 83697045
[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
CID 142687563
2-ethyl-1-fluoro-4-(fluoromethoxy)benzene
CID 118671621
2,4-bis(fluoromethoxy)-1-methylbenzene
CID 57232585
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
2-bromo-1,4-bis(fluoromethoxy)benzene
CID 150344358
1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 166074039
(3-fluoro-4-methoxyphenoxy)methanol
CID 89257829
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
1,2-dibromo-4-(fluoromethoxy)benzene
CID 141054271
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoic acid
CID 146594826

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene?
The IUPAC name of 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene (CID 118227774) is 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene.
What is the SMILES notation for 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene?
The canonical SMILES for 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene is COc1cc(OCF)ccc1F.
What is the InChIKey of 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene?
The InChIKey is UPSMPJVWCHKZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c1-11-8-4-6(12-5-9)2-3-7(8)10/h2-4H,5H2,1H3.
What are the key properties of 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene?
1-fluoro-4-(fluoromethoxy)-2-methoxybenzene has a molecular weight of 174.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(fluoromethoxy)-2-methoxybenzene is sourced from PubChem (CID 118227774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).