fluoromethane benzoate

C8H8FO2- — CID 162095004

IUPACfluoromethane benzoate
SMILESCF.O=C([O-])c1ccccc1
InChIInChI=1S/C7H6O2.CH3F/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);1H3/p-1
InChIKeyZECYTPDJQJQBSF-UHFFFAOYSA-M
MW155.15 g/mol
LogP0.64
Rot. Bonds1

About fluoromethane benzoate

fluoromethane benzoate (PubChem CID 162095004) has the molecular formula C8H8FO2- and a molecular weight of 155.15 g/mol. Its IUPAC name is fluoromethane benzoate.

Molecular Properties

Compound Namefluoromethane benzoate
PubChem CID162095004
Molecular FormulaC8H8FO2-
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC Namefluoromethane benzoate
SMILESCF.O=C([O-])c1ccccc1
InChIInChI=1S/C7H6O2.CH3F/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);1H3/p-1
InChIKeyZECYTPDJQJQBSF-UHFFFAOYSA-M
XLogP0.64
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
barium(2+) benzoate
CID 22608800
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
platinum(4+) tetrabenzoate
CID 173022810
cadmium(2+) benzoate
CID 22051861
azanium benzoate
CID 15830
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421

Frequently Asked Questions

What is the IUPAC name of fluoromethane benzoate?
The IUPAC name of fluoromethane benzoate (CID 162095004) is fluoromethane benzoate.
What is the SMILES notation for fluoromethane benzoate?
The canonical SMILES for fluoromethane benzoate is CF.O=C([O-])c1ccccc1.
What is the InChIKey of fluoromethane benzoate?
The InChIKey is ZECYTPDJQJQBSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.CH3F/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);1H3/p-1.
What are the key properties of fluoromethane benzoate?
fluoromethane benzoate has a molecular weight of 155.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane benzoate is sourced from PubChem (CID 162095004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).