1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene

C14H10F4O2 — CID 118821679

IUPAC1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
SMILESCOc1cc(-c2cccc(OC(F)(F)F)c2)ccc1F
InChIInChI=1S/C14H10F4O2/c1-19-13-8-10(5-6-12(13)15)9-3-2-4-11(7-9)20-14(16,17)18/h2-8H,1H3
InChIKeyCIEWYMZUWFKXJX-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.40
Rot. Bonds3

About 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene

1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 118821679) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID118821679
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
SMILESCOc1cc(-c2cccc(OC(F)(F)F)c2)ccc1F
InChIInChI=1S/C14H10F4O2/c1-19-13-8-10(5-6-12(13)15)9-3-2-4-11(7-9)20-14(16,17)18/h2-8H,1H3
InChIKeyCIEWYMZUWFKXJX-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067
1-[2,3-difluoro-5-(trifluoromethoxy)phenyl]-2,5-dimethoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 175815451
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
4-tert-butyl-1-fluoro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 58049422
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene (CID 118821679) is 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene is COc1cc(-c2cccc(OC(F)(F)F)c2)ccc1F.
What is the InChIKey of 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is CIEWYMZUWFKXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c1-19-13-8-10(5-6-12(13)15)9-3-2-4-11(7-9)20-14(16,17)18/h2-8H,1H3.
What are the key properties of 1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene?
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 286.22 g/mol, XLogP of 4.40, 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-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118821679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).