4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid

C11H11F2NO4S — CID 146137738

IUPAC4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1cscc1C(F)F
InChIInChI=1S/C11H11F2NO4S/c12-9(13)6-4-19-5-7(6)10(15)14-1-2-18-3-8(14)11(16)17/h4-5,8-9H,1-3H2,(H,16,17)
InChIKeyPSXRZWAOSAHWOH-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.61
Rot. Bonds3

About 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid

4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 146137738) has the molecular formula C11H11F2NO4S and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID146137738
Molecular FormulaC11H11F2NO4S
Molecular Weight291.27 g/mol
Exact Mass291.04
IUPAC Name4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1cscc1C(F)F
InChIInChI=1S/C11H11F2NO4S/c12-9(13)6-4-19-5-7(6)10(15)14-1-2-18-3-8(14)11(16)17/h4-5,8-9H,1-3H2,(H,16,17)
InChIKeyPSXRZWAOSAHWOH-UHFFFAOYSA-N
XLogP1.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid (CID 146137738) is 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1cscc1C(F)F.
What is the InChIKey of 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is PSXRZWAOSAHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4S/c12-9(13)6-4-19-5-7(6)10(15)14-1-2-18-3-8(14)11(16)17/h4-5,8-9H,1-3H2,(H,16,17).
What are the key properties of 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid?
4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)thiophene-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 146137738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).