4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide

C12H13F4NO3 — CID 99854772

IUPAC4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide
SMILESC[C@@H](CO)N(C)C(=O)c1c(F)cc(OC(F)F)cc1F
InChIInChI=1S/C12H13F4NO3/c1-6(5-18)17(2)11(19)10-8(13)3-7(4-9(10)14)20-12(15)16/h3-4,6,12,18H,5H2,1-2H3/t6-/m0/s1
InChIKeyGHGUDDTVGOHJCO-LURJTMIESA-N
MW295.23 g/mol
LogP2.02
Rot. Bonds5

About 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide

4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide (PubChem CID 99854772) has the molecular formula C12H13F4NO3 and a molecular weight of 295.23 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide
PubChem CID99854772
Molecular FormulaC12H13F4NO3
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Name4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide
SMILESC[C@@H](CO)N(C)C(=O)c1c(F)cc(OC(F)F)cc1F
InChIInChI=1S/C12H13F4NO3/c1-6(5-18)17(2)11(19)10-8(13)3-7(4-9(10)14)20-12(15)16/h3-4,6,12,18H,5H2,1-2H3/t6-/m0/s1
InChIKeyGHGUDDTVGOHJCO-LURJTMIESA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide (CID 99854772) is 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide is C[C@@H](CO)N(C)C(=O)c1c(F)cc(OC(F)F)cc1F.
What is the InChIKey of 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide?
The InChIKey is GHGUDDTVGOHJCO-LURJTMIESA-N. The full InChI is InChI=1S/C12H13F4NO3/c1-6(5-18)17(2)11(19)10-8(13)3-7(4-9(10)14)20-12(15)16/h3-4,6,12,18H,5H2,1-2H3/t6-/m0/s1.
What are the key properties of 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide?
4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide has a molecular weight of 295.23 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 99854772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).