3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile

C10H17FN2O — CID 46894405

IUPAC3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile
SMILESCC(C)C(F)C(C#N)N1CCOCC1
InChIInChI=1S/C10H17FN2O/c1-8(2)10(11)9(7-12)13-3-5-14-6-4-13/h8-10H,3-6H2,1-2H3
InChIKeyCOTGXQWNRUQTSQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.20
Rot. Bonds3

About 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile

3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile (PubChem CID 46894405) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile
PubChem CID46894405
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile
SMILESCC(C)C(F)C(C#N)N1CCOCC1
InChIInChI=1S/C10H17FN2O/c1-8(2)10(11)9(7-12)13-3-5-14-6-4-13/h8-10H,3-6H2,1-2H3
InChIKeyCOTGXQWNRUQTSQ-UHFFFAOYSA-N
XLogP1.20
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-Methylpropoxy)ethyl]piperidine-4-carbonitrile
CID 121524183
4-(4-Methylpentan-2-yl)morpholine
CID 13398802
2-Morpholino-3-methylbutyronitrile
CID 17562223
2-Morpholin-4-ylpentanenitrile
CID 19064099
4-Methyl-2-morpholino-2-cyanopentane
CID 43802979
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-3-carbonitrile
CID 64442769
6,6,6-Trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile
CID 116536039
2-(Morpholin-4-ylmethyl)pentanenitrile
CID 21406124
4-[(2S)-4-methylpentan-2-yl]morpholine
CID 129308251
2-Methyl-5-morpholin-4-ylpentanenitrile
CID 142227789
2-(2-Morpholin-4-ylpropyl)propanedinitrile
CID 175082995
3-Bromo-4-methyl-2-morpholin-4-ylpentanenitrile
CID 12360863

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile?
The IUPAC name of 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile (CID 46894405) is 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile.
What is the SMILES notation for 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile?
The canonical SMILES for 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile is CC(C)C(F)C(C#N)N1CCOCC1.
What is the InChIKey of 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile?
The InChIKey is COTGXQWNRUQTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-8(2)10(11)9(7-12)13-3-5-14-6-4-13/h8-10H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile?
3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile has a molecular weight of 200.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2-morpholin-4-ylpentanenitrile is sourced from PubChem (CID 46894405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).