(5S)-5-(fluoromethyl)morpholin-3-one

C5H8FNO2 — CID 105427706

IUPAC(5S)-5-(fluoromethyl)morpholin-3-one
SMILESO=C1COC[C@@H](CF)N1
InChIInChI=1S/C5H8FNO2/c6-1-4-2-9-3-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m1/s1
InChIKeyGELPBABKXXIMQG-SCSAIBSYSA-N
MW133.12 g/mol
LogP-0.53
Rot. Bonds1

About (5S)-5-(fluoromethyl)morpholin-3-one

(5S)-5-(fluoromethyl)morpholin-3-one (PubChem CID 105427706) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is (5S)-5-(fluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name(5S)-5-(fluoromethyl)morpholin-3-one
PubChem CID105427706
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name(5S)-5-(fluoromethyl)morpholin-3-one
SMILESO=C1COC[C@@H](CF)N1
InChIInChI=1S/C5H8FNO2/c6-1-4-2-9-3-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m1/s1
InChIKeyGELPBABKXXIMQG-SCSAIBSYSA-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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Related Compounds

3-Morpholinone
CID 66953
(5R)-5-methylmorpholin-3-one
CID 12400352
(5S)-5-Methylmorpholin-3-one
CID 12400353
(2S,5S)-2,5-dimethylmorpholin-3-one
CID 55303247
(2R,5R)-2,5-dimethylmorpholin-3-one
CID 57974050
(5S)-5-(Hydroxymethyl)morpholine-3-one
CID 86335551
5-(Trifluoromethyl)morpholin-3-one
CID 54595323
5-Methylmorpholin-3-one
CID 12400354
2-Methoxy-N-(propan-2-yl)acetamide
CID 19353620
(5R)-5-Ethyl-3-morpholinone
CID 28064772
(s)-5-Ethylmorpholin-3-one
CID 28064773
5-(Propan-2-yl)morpholin-3-one
CID 20063803

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(fluoromethyl)morpholin-3-one?
The IUPAC name of (5S)-5-(fluoromethyl)morpholin-3-one (CID 105427706) is (5S)-5-(fluoromethyl)morpholin-3-one.
What is the SMILES notation for (5S)-5-(fluoromethyl)morpholin-3-one?
The canonical SMILES for (5S)-5-(fluoromethyl)morpholin-3-one is O=C1COC[C@@H](CF)N1.
What is the InChIKey of (5S)-5-(fluoromethyl)morpholin-3-one?
The InChIKey is GELPBABKXXIMQG-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-1-4-2-9-3-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m1/s1.
What are the key properties of (5S)-5-(fluoromethyl)morpholin-3-one?
(5S)-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 (5S)-5-(fluoromethyl)morpholin-3-one is sourced from PubChem (CID 105427706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).