4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide

C10H9F4NO2 — CID 90980774

IUPAC4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide
SMILESCOC(F)c1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO2/c1-17-8(11)5-2-3-6(9(15)16)7(4-5)10(12,13)14/h2-4,8H,1H3,(H2,15,16)
InChIKeyWCRMQGFUONJBQS-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.42
Rot. Bonds3

About 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide

4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 90980774) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide
PubChem CID90980774
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide
SMILESCOC(F)c1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO2/c1-17-8(11)5-2-3-6(9(15)16)7(4-5)10(12,13)14/h2-4,8H,1H3,(H2,15,16)
InChIKeyWCRMQGFUONJBQS-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide (CID 90980774) is 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide is COC(F)c1ccc(C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is WCRMQGFUONJBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-17-8(11)5-2-3-6(9(15)16)7(4-5)10(12,13)14/h2-4,8H,1H3,(H2,15,16).
What are the key properties of 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide?
4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 251.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 90980774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).