2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene

C14H10F4O — CID 164892984

IUPAC2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene
SMILESCOc1cc(C(F)(F)F)cc(-c2ccccc2)c1F
InChIInChI=1S/C14H10F4O/c1-19-12-8-10(14(16,17)18)7-11(13(12)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyCXGAZWAJMOJAEU-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.52
Rot. Bonds2

About 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene

2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene (PubChem CID 164892984) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene
PubChem CID164892984
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene
SMILESCOc1cc(C(F)(F)F)cc(-c2ccccc2)c1F
InChIInChI=1S/C14H10F4O/c1-19-12-8-10(14(16,17)18)7-11(13(12)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyCXGAZWAJMOJAEU-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
2-fluoro-3-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171020416
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
CID 74891112
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
5-methoxy-2-phenyl-4-(trifluoromethyl)benzonitrile
CID 175277844
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118812916

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene (CID 164892984) is 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene is COc1cc(C(F)(F)F)cc(-c2ccccc2)c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene?
The InChIKey is CXGAZWAJMOJAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-19-12-8-10(14(16,17)18)7-11(13(12)15)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene?
2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene has a molecular weight of 270.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 164892984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).