trifluoromethoxybenzene fluoride

C7H5F4O- — CID 158305019

IUPACtrifluoromethoxybenzene fluoride
SMILESFC(F)(F)Oc1ccccc1.[F-]
InChIInChI=1S/C7H5F3O.FH/c8-7(9,10)11-6-4-2-1-3-5-6;/h1-5H;1H/p-1
InChIKeyGMYWXIKEFQSUGH-UHFFFAOYSA-M
MW181.11 g/mol
LogP-0.41
Rot. Bonds1

About trifluoromethoxybenzene fluoride

trifluoromethoxybenzene fluoride (PubChem CID 158305019) has the molecular formula C7H5F4O- and a molecular weight of 181.11 g/mol. Its IUPAC name is trifluoromethoxybenzene fluoride.

Molecular Properties

Compound Nametrifluoromethoxybenzene fluoride
PubChem CID158305019
Molecular FormulaC7H5F4O-
Molecular Weight181.11 g/mol
Exact Mass181.03
IUPAC Nametrifluoromethoxybenzene fluoride
SMILESFC(F)(F)Oc1ccccc1.[F-]
InChIInChI=1S/C7H5F3O.FH/c8-7(9,10)11-6-4-2-1-3-5-6;/h1-5H;1H/p-1
InChIKeyGMYWXIKEFQSUGH-UHFFFAOYSA-M
XLogP-0.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trifluoromethoxybenzene
CID 157402708
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 fluoride?
The IUPAC name of trifluoromethoxybenzene fluoride (CID 158305019) is trifluoromethoxybenzene fluoride.
What is the SMILES notation for trifluoromethoxybenzene fluoride?
The canonical SMILES for trifluoromethoxybenzene fluoride is FC(F)(F)Oc1ccccc1.[F-].
What is the InChIKey of trifluoromethoxybenzene fluoride?
The InChIKey is GMYWXIKEFQSUGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F3O.FH/c8-7(9,10)11-6-4-2-1-3-5-6;/h1-5H;1H/p-1.
What are the key properties of trifluoromethoxybenzene fluoride?
trifluoromethoxybenzene fluoride has a molecular weight of 181.11 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethoxybenzene fluoride is sourced from PubChem (CID 158305019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).