5-(fluoromethyl)morpholin-3-one

C5H8FNO2 — CID 83854137

IUPAC5-(fluoromethyl)morpholin-3-one
SMILESO=C1COCC(CF)N1
InChIInChI=1S/C5H8FNO2/c6-1-4-2-9-3-5(8)7-4/h4H,1-3H2,(H,7,8)
InChIKeyGELPBABKXXIMQG-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.53
Rot. Bonds1

About 5-(fluoromethyl)morpholin-3-one

5-(fluoromethyl)morpholin-3-one (PubChem CID 83854137) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 5-(fluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(fluoromethyl)morpholin-3-one
PubChem CID83854137
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name5-(fluoromethyl)morpholin-3-one
SMILESO=C1COCC(CF)N1
InChIInChI=1S/C5H8FNO2/c6-1-4-2-9-3-5(8)7-4/h4H,1-3H2,(H,7,8)
InChIKeyGELPBABKXXIMQG-UHFFFAOYSA-N
XLogP-0.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)morpholin-3-one?
The IUPAC name of 5-(fluoromethyl)morpholin-3-one (CID 83854137) is 5-(fluoromethyl)morpholin-3-one.
What is the SMILES notation for 5-(fluoromethyl)morpholin-3-one?
The canonical SMILES for 5-(fluoromethyl)morpholin-3-one is O=C1COCC(CF)N1.
What is the InChIKey of 5-(fluoromethyl)morpholin-3-one?
The InChIKey is GELPBABKXXIMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-1-4-2-9-3-5(8)7-4/h4H,1-3H2,(H,7,8).
What are the key properties of 5-(fluoromethyl)morpholin-3-one?
5-(fluoromethyl)morpholin-3-one has a molecular weight of 133.12 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)morpholin-3-one is sourced from PubChem (CID 83854137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).