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

C15H12F4O2 — CID 166073527

IUPAC2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
SMILESCOc1cc(Oc2ccc(C(F)(F)F)cc2)cc(C)c1F
InChIInChI=1S/C15H12F4O2/c1-9-7-12(8-13(20-2)14(9)16)21-11-5-3-10(4-6-11)15(17,18)19/h3-8H,1-2H3
InChIKeyGRHZLGNNZKIBRD-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.95
Rot. Bonds3

About 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene

2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 166073527) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID166073527
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
SMILESCOc1cc(Oc2ccc(C(F)(F)F)cc2)cc(C)c1F
InChIInChI=1S/C15H12F4O2/c1-9-7-12(8-13(20-2)14(9)16)21-11-5-3-10(4-6-11)15(17,18)19/h3-8H,1-2H3
InChIKeyGRHZLGNNZKIBRD-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 166074039
1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 176691111
[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide
CID 154400720
1-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 67387269
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzaldehyde
CID 170440980
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976
2-fluoro-1-methoxy-5-(3-methoxypropoxy)-3-methylbenzene
CID 58483798
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 134929204
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
5-bromo-2-fluoro-1-methoxy-3-methylbenzene
CID 74891119

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene (CID 166073527) is 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene is COc1cc(Oc2ccc(C(F)(F)F)cc2)cc(C)c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is GRHZLGNNZKIBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-9-7-12(8-13(20-2)14(9)16)21-11-5-3-10(4-6-11)15(17,18)19/h3-8H,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene?
2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 300.25 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 166073527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).