3-(2-methylmorpholin-2-yl)propanoyl fluoride

C8H14FNO2 — CID 174847455

IUPAC3-(2-methylmorpholin-2-yl)propanoyl fluoride
SMILESCC1(CCC(=O)F)CNCCO1
InChIInChI=1S/C8H14FNO2/c1-8(3-2-7(9)11)6-10-4-5-12-8/h10H,2-6H2,1H3
InChIKeyNSBJOHVNRXBYNI-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.64
Rot. Bonds3

About 3-(2-methylmorpholin-2-yl)propanoyl fluoride

3-(2-methylmorpholin-2-yl)propanoyl fluoride (PubChem CID 174847455) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 3-(2-methylmorpholin-2-yl)propanoyl fluoride.

Molecular Properties

Compound Name3-(2-methylmorpholin-2-yl)propanoyl fluoride
PubChem CID174847455
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name3-(2-methylmorpholin-2-yl)propanoyl fluoride
SMILESCC1(CCC(=O)F)CNCCO1
InChIInChI=1S/C8H14FNO2/c1-8(3-2-7(9)11)6-10-4-5-12-8/h10H,2-6H2,1H3
InChIKeyNSBJOHVNRXBYNI-UHFFFAOYSA-N
XLogP0.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylmorpholin-2-yl)propanoyl fluoride?
The IUPAC name of 3-(2-methylmorpholin-2-yl)propanoyl fluoride (CID 174847455) is 3-(2-methylmorpholin-2-yl)propanoyl fluoride.
What is the SMILES notation for 3-(2-methylmorpholin-2-yl)propanoyl fluoride?
The canonical SMILES for 3-(2-methylmorpholin-2-yl)propanoyl fluoride is CC1(CCC(=O)F)CNCCO1.
What is the InChIKey of 3-(2-methylmorpholin-2-yl)propanoyl fluoride?
The InChIKey is NSBJOHVNRXBYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(3-2-7(9)11)6-10-4-5-12-8/h10H,2-6H2,1H3.
What are the key properties of 3-(2-methylmorpholin-2-yl)propanoyl fluoride?
3-(2-methylmorpholin-2-yl)propanoyl fluoride has a molecular weight of 175.20 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylmorpholin-2-yl)propanoyl fluoride is sourced from PubChem (CID 174847455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).