trifluoromethoxybenzene

C14H10F6O2 — CID 157402708

IUPACtrifluoromethoxybenzene
SMILESFC(F)(F)Oc1ccccc1.FC(F)(F)Oc1ccccc1
InChIInChI=1S/2C7H5F3O/c2*8-7(9,10)11-6-4-2-1-3-5-6/h2*1-5H
InChIKeyBNIWYPJDODFJTL-UHFFFAOYSA-N
MW324.22 g/mol
LogP5.17
Rot. Bonds2

About trifluoromethoxybenzene

trifluoromethoxybenzene (PubChem CID 157402708) has the molecular formula C14H10F6O2 and a molecular weight of 324.22 g/mol. Its IUPAC name is trifluoromethoxybenzene.

Molecular Properties

Compound Nametrifluoromethoxybenzene
PubChem CID157402708
Molecular FormulaC14H10F6O2
Molecular Weight324.22 g/mol
Exact Mass324.06
IUPAC Nametrifluoromethoxybenzene
SMILESFC(F)(F)Oc1ccccc1.FC(F)(F)Oc1ccccc1
InChIInChI=1S/2C7H5F3O/c2*8-7(9,10)11-6-4-2-1-3-5-6/h2*1-5H
InChIKeyBNIWYPJDODFJTL-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.22
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trifluoromethoxybenzene fluoride
CID 158305019
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
propan-2-ol;trifluoromethoxybenzene
CID 161029707
isothiocyanic acid;trifluoromethoxybenzene
CID 175112094
sulfuryl diisocyanide;trifluoromethoxybenzene
CID 162183940
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
1-chloropentane;sulfane;trifluoromethoxybenzene
CID 174892257

Frequently Asked Questions

What is the IUPAC name of trifluoromethoxybenzene?
The IUPAC name of trifluoromethoxybenzene (CID 157402708) is trifluoromethoxybenzene.
What is the SMILES notation for trifluoromethoxybenzene?
The canonical SMILES for trifluoromethoxybenzene is FC(F)(F)Oc1ccccc1.FC(F)(F)Oc1ccccc1.
What is the InChIKey of trifluoromethoxybenzene?
The InChIKey is BNIWYPJDODFJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5F3O/c2*8-7(9,10)11-6-4-2-1-3-5-6/h2*1-5H.
What are the key properties of trifluoromethoxybenzene?
trifluoromethoxybenzene has a molecular weight of 324.22 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethoxybenzene is sourced from PubChem (CID 157402708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).