1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene

C14H10F4O2 — CID 166074039

IUPAC1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
SMILESCOc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1F
InChIInChI=1S/C14H10F4O2/c1-19-13-8-11(6-7-12(13)15)20-10-4-2-9(3-5-10)14(16,17)18/h2-8H,1H3
InChIKeyOLQYOKQWNIMHEK-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.65
Rot. Bonds3

About 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene

1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 166074039) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID166074039
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
SMILESCOc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1F
InChIInChI=1S/C14H10F4O2/c1-19-13-8-11(6-7-12(13)15)20-10-4-2-9(3-5-10)14(16,17)18/h2-8H,1H3
InChIKeyOLQYOKQWNIMHEK-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 166073527
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzaldehyde
CID 170440980
1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 176691111
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976
1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
CID 118227774
[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide
CID 154400720
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
4-[4-[1,1-bis[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 66649899
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene (CID 166074039) is 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene is COc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1F.
What is the InChIKey of 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is OLQYOKQWNIMHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c1-19-13-8-11(6-7-12(13)15)20-10-4-2-9(3-5-10)14(16,17)18/h2-8H,1H3.
What are the key properties of 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene?
1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 286.22 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 166074039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).