N,N-dimethylformamide;2-fluorobenzoic acid

C10H12FNO3 — CID 175257131

IUPACN,N-dimethylformamide;2-fluorobenzoic acid
SMILESCN(C)C=O.O=C(O)c1ccccc1F
InChIInChI=1S/C7H5FO2.C3H7NO/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3-5/h1-4H,(H,9,10);3H,1-2H3
InChIKeyDGLJAPIQDVSKKS-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.23
Rot. Bonds2

About N,N-dimethylformamide;2-fluorobenzoic acid

N,N-dimethylformamide;2-fluorobenzoic acid (PubChem CID 175257131) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is N,N-dimethylformamide;2-fluorobenzoic acid.

Molecular Properties

Compound NameN,N-dimethylformamide;2-fluorobenzoic acid
PubChem CID175257131
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC NameN,N-dimethylformamide;2-fluorobenzoic acid
SMILESCN(C)C=O.O=C(O)c1ccccc1F
InChIInChI=1S/C7H5FO2.C3H7NO/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3-5/h1-4H,(H,9,10);3H,1-2H3
InChIKeyDGLJAPIQDVSKKS-UHFFFAOYSA-N
XLogP1.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;2-fluorobenzoic acid?
The IUPAC name of N,N-dimethylformamide;2-fluorobenzoic acid (CID 175257131) is N,N-dimethylformamide;2-fluorobenzoic acid.
What is the SMILES notation for N,N-dimethylformamide;2-fluorobenzoic acid?
The canonical SMILES for N,N-dimethylformamide;2-fluorobenzoic acid is CN(C)C=O.O=C(O)c1ccccc1F.
What is the InChIKey of N,N-dimethylformamide;2-fluorobenzoic acid?
The InChIKey is DGLJAPIQDVSKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO2.C3H7NO/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3-5/h1-4H,(H,9,10);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;2-fluorobenzoic acid?
N,N-dimethylformamide;2-fluorobenzoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;2-fluorobenzoic acid is sourced from PubChem (CID 175257131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).