1-phenyl-3-(trifluoromethoxy)benzene

C13H9F3O — CID 46315186

IUPAC1-phenyl-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H9F3O/c14-13(15,16)17-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKeyXPNFMWKCDPLTRN-UHFFFAOYSA-N
MW238.21 g/mol
LogP4.25
Rot. Bonds2

About 1-phenyl-3-(trifluoromethoxy)benzene

1-phenyl-3-(trifluoromethoxy)benzene (PubChem CID 46315186) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethoxy)benzene
PubChem CID46315186
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name1-phenyl-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H9F3O/c14-13(15,16)17-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKeyXPNFMWKCDPLTRN-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
trifluoromethoxybenzene
CID 157402708
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
trifluoromethoxybenzene fluoride
CID 158305019
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-phenyl-3-(trifluoromethoxy)benzene (CID 46315186) is 1-phenyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-phenyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-phenyl-3-(trifluoromethoxy)benzene is FC(F)(F)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-(trifluoromethoxy)benzene?
The InChIKey is XPNFMWKCDPLTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c14-13(15,16)17-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 1-phenyl-3-(trifluoromethoxy)benzene?
1-phenyl-3-(trifluoromethoxy)benzene has a molecular weight of 238.21 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 46315186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).