1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene

C14H10F4O — CID 176691111

IUPAC1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
SMILESCc1cc(F)cc(Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F4O/c1-9-6-11(15)8-13(7-9)19-12-4-2-10(3-5-12)14(16,17)18/h2-8H,1H3
InChIKeyOMNFFFBUTZSRLK-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.95
Rot. Bonds2

About 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene

1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 176691111) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID176691111
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
SMILESCc1cc(F)cc(Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F4O/c1-9-6-11(15)8-13(7-9)19-12-4-2-10(3-5-12)14(16,17)18/h2-8H,1H3
InChIKeyOMNFFFBUTZSRLK-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415
2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 166073527
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide
CID 154400720
1-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 67387269
1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 166074039
3-(3,5-difluorophenoxy)-5-methylaniline
CID 112648476
1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 58413473
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 176691058

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene (CID 176691111) is 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene is Cc1cc(F)cc(Oc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is OMNFFFBUTZSRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-9-6-11(15)8-13(7-9)19-12-4-2-10(3-5-12)14(16,17)18/h2-8H,1H3.
What are the key properties of 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene?
1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 270.23 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 176691111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).