2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile

C11H17FN2O2 — CID 126794517

IUPAC2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCOC(CF)C1
InChIInChI=1S/C11H17FN2O2/c1-3-11(2,8-13)10(15)14-4-5-16-9(6-12)7-14/h9H,3-7H2,1-2H3
InChIKeyUUHYPBXCBXQCKC-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.12
Rot. Bonds3

About 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile

2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile (PubChem CID 126794517) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile
PubChem CID126794517
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCOC(CF)C1
InChIInChI=1S/C11H17FN2O2/c1-3-11(2,8-13)10(15)14-4-5-16-9(6-12)7-14/h9H,3-7H2,1-2H3
InChIKeyUUHYPBXCBXQCKC-UHFFFAOYSA-N
XLogP1.12
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile?
The IUPAC name of 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile (CID 126794517) is 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile is CCC(C)(C#N)C(=O)N1CCOC(CF)C1.
What is the InChIKey of 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile?
The InChIKey is UUHYPBXCBXQCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-3-11(2,8-13)10(15)14-4-5-16-9(6-12)7-14/h9H,3-7H2,1-2H3.
What are the key properties of 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile?
2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile has a molecular weight of 228.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)morpholine-4-carbonyl]-2-methylbutanenitrile is sourced from PubChem (CID 126794517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).