4-chlorobenzoic acid;fluoromethane

C8H8ClFO2 — CID 174932068

IUPAC4-chlorobenzoic acid;fluoromethane
SMILESCF.O=C(O)c1ccc(Cl)cc1
InChIInChI=1S/C7H5ClO2.CH3F/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,(H,9,10);1H3
InChIKeyVKLBZAOAQGNXGO-UHFFFAOYSA-N
MW190.60 g/mol
LogP2.62
Rot. Bonds1

About 4-chlorobenzoic acid;fluoromethane

4-chlorobenzoic acid;fluoromethane (PubChem CID 174932068) has the molecular formula C8H8ClFO2 and a molecular weight of 190.60 g/mol. Its IUPAC name is 4-chlorobenzoic acid;fluoromethane.

Molecular Properties

Compound Name4-chlorobenzoic acid;fluoromethane
PubChem CID174932068
Molecular FormulaC8H8ClFO2
Molecular Weight190.60 g/mol
Exact Mass190.02
IUPAC Name4-chlorobenzoic acid;fluoromethane
SMILESCF.O=C(O)c1ccc(Cl)cc1
InChIInChI=1S/C7H5ClO2.CH3F/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,(H,9,10);1H3
InChIKeyVKLBZAOAQGNXGO-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzoic acid;fluoromethane?
The IUPAC name of 4-chlorobenzoic acid;fluoromethane (CID 174932068) is 4-chlorobenzoic acid;fluoromethane.
What is the SMILES notation for 4-chlorobenzoic acid;fluoromethane?
The canonical SMILES for 4-chlorobenzoic acid;fluoromethane is CF.O=C(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzoic acid;fluoromethane?
The InChIKey is VKLBZAOAQGNXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.CH3F/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,(H,9,10);1H3.
What are the key properties of 4-chlorobenzoic acid;fluoromethane?
4-chlorobenzoic acid;fluoromethane has a molecular weight of 190.60 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzoic acid;fluoromethane is sourced from PubChem (CID 174932068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).