2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile

C12H18F2N2O — CID 62707093

IUPAC2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile
SMILESN#CC(F)(F)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C12H18F2N2O/c13-12(14,10-15)11(4-2-1-3-5-11)16-6-8-17-9-7-16/h1-9H2
InChIKeyIVCBSMRJHYVDHV-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.18
Rot. Bonds2

About 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile

2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile (PubChem CID 62707093) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile.

Molecular Properties

Compound Name2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile
PubChem CID62707093
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile
SMILESN#CC(F)(F)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C12H18F2N2O/c13-12(14,10-15)11(4-2-1-3-5-11)16-6-8-17-9-7-16/h1-9H2
InChIKeyIVCBSMRJHYVDHV-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile?
The IUPAC name of 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile (CID 62707093) is 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile.
What is the SMILES notation for 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile?
The canonical SMILES for 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile is N#CC(F)(F)C1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile?
The InChIKey is IVCBSMRJHYVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c13-12(14,10-15)11(4-2-1-3-5-11)16-6-8-17-9-7-16/h1-9H2.
What are the key properties of 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile?
2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile has a molecular weight of 244.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile is sourced from PubChem (CID 62707093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).