3-[fluoro(methoxy)methyl]benzamide

C9H10FNO2 — CID 57074671

IUPAC3-[fluoro(methoxy)methyl]benzamide
SMILESCOC(F)c1cccc(C(N)=O)c1
InChIInChI=1S/C9H10FNO2/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyIKLMSSVNNIKQMZ-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.40
Rot. Bonds3

About 3-[fluoro(methoxy)methyl]benzamide

3-[fluoro(methoxy)methyl]benzamide (PubChem CID 57074671) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 3-[fluoro(methoxy)methyl]benzamide.

Molecular Properties

Compound Name3-[fluoro(methoxy)methyl]benzamide
PubChem CID57074671
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name3-[fluoro(methoxy)methyl]benzamide
SMILESCOC(F)c1cccc(C(N)=O)c1
InChIInChI=1S/C9H10FNO2/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyIKLMSSVNNIKQMZ-UHFFFAOYSA-N
XLogP1.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(methoxy)methyl]benzamide?
The IUPAC name of 3-[fluoro(methoxy)methyl]benzamide (CID 57074671) is 3-[fluoro(methoxy)methyl]benzamide.
What is the SMILES notation for 3-[fluoro(methoxy)methyl]benzamide?
The canonical SMILES for 3-[fluoro(methoxy)methyl]benzamide is COC(F)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[fluoro(methoxy)methyl]benzamide?
The InChIKey is IKLMSSVNNIKQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,8H,1H3,(H2,11,12).
What are the key properties of 3-[fluoro(methoxy)methyl]benzamide?
3-[fluoro(methoxy)methyl]benzamide has a molecular weight of 183.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(methoxy)methyl]benzamide is sourced from PubChem (CID 57074671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).