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

C15H12F4O — CID 102132722

IUPAC2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCc1ccc(OCc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H12F4O/c1-10-5-6-14(13(16)7-10)20-9-11-3-2-4-12(8-11)15(17,18)19/h2-8H,9H2,1H3
InChIKeyGHMVBZXZDBYZSS-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.73
Rot. Bonds3

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

2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 102132722) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID102132722
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCc1ccc(OCc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H12F4O/c1-10-5-6-14(13(16)7-10)20-9-11-3-2-4-12(8-11)15(17,18)19/h2-8H,9H2,1H3
InChIKeyGHMVBZXZDBYZSS-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388
6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
CID 78929099
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene (CID 102132722) is 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene is Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is GHMVBZXZDBYZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-10-5-6-14(13(16)7-10)20-9-11-3-2-4-12(8-11)15(17,18)19/h2-8H,9H2,1H3.
What are the key properties of 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 284.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 102132722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).