4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene

C8H6F4O2 — CID 131171208

IUPAC4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
SMILESCOc1cc(F)ccc1OC(F)(F)F
InChIInChI=1S/C8H6F4O2/c1-13-7-4-5(9)2-3-6(7)14-8(10,11)12/h2-4H,1H3
InChIKeyMDILOLOTPKICEB-UHFFFAOYSA-N
MW210.13 g/mol
LogP2.73
Rot. Bonds2

About 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene

4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene (PubChem CID 131171208) has the molecular formula C8H6F4O2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
PubChem CID131171208
Molecular FormulaC8H6F4O2
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
SMILESCOc1cc(F)ccc1OC(F)(F)F
InChIInChI=1S/C8H6F4O2/c1-13-7-4-5(9)2-3-6(7)14-8(10,11)12/h2-4H,1H3
InChIKeyMDILOLOTPKICEB-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
ethane;3-methoxy-4-(trifluoromethoxy)phenol
CID 142516973
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445
(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 91717601
4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene
CID 130950946
CID 58432607
CID 58432607
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 105426244

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene (CID 131171208) is 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene is COc1cc(F)ccc1OC(F)(F)F.
What is the InChIKey of 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene?
The InChIKey is MDILOLOTPKICEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O2/c1-13-7-4-5(9)2-3-6(7)14-8(10,11)12/h2-4H,1H3.
What are the key properties of 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene?
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene has a molecular weight of 210.13 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 131171208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).