[2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone

C10H12FNO2S — CID 126794034

IUPAC[2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCOC(CF)C1
InChIInChI=1S/C10H12FNO2S/c11-5-9-6-12(2-3-14-9)10(13)8-1-4-15-7-8/h1,4,7,9H,2-3,5-6H2
InChIKeyGQEZQRBWZDQNQH-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds2

About [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone

[2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone (PubChem CID 126794034) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone
PubChem CID126794034
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name[2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCOC(CF)C1
InChIInChI=1S/C10H12FNO2S/c11-5-9-6-12(2-3-14-9)10(13)8-1-4-15-7-8/h1,4,7,9H,2-3,5-6H2
InChIKeyGQEZQRBWZDQNQH-UHFFFAOYSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone (CID 126794034) is [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCOC(CF)C1.
What is the InChIKey of [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The InChIKey is GQEZQRBWZDQNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-5-9-6-12(2-3-14-9)10(13)8-1-4-15-7-8/h1,4,7,9H,2-3,5-6H2.
What are the key properties of [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone?
[2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone has a molecular weight of 229.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 126794034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).