2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile

C12H21FN2 — CID 46894279

IUPAC2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile
SMILESCCN(CC)C(C#N)C1(F)CCCCC1
InChIInChI=1S/C12H21FN2/c1-3-15(4-2)11(10-14)12(13)8-6-5-7-9-12/h11H,3-9H2,1-2H3
InChIKeyQVJSNKHEFIKBNZ-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.89
Rot. Bonds4

About 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile

2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile (PubChem CID 46894279) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile
PubChem CID46894279
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile
SMILESCCN(CC)C(C#N)C1(F)CCCCC1
InChIInChI=1S/C12H21FN2/c1-3-15(4-2)11(10-14)12(13)8-6-5-7-9-12/h11H,3-9H2,1-2H3
InChIKeyQVJSNKHEFIKBNZ-UHFFFAOYSA-N
XLogP2.89
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile (CID 46894279) is 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile is CCN(CC)C(C#N)C1(F)CCCCC1.
What is the InChIKey of 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile?
The InChIKey is QVJSNKHEFIKBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2/c1-3-15(4-2)11(10-14)12(13)8-6-5-7-9-12/h11H,3-9H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile?
2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile has a molecular weight of 212.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(1-fluorocyclohexyl)acetonitrile is sourced from PubChem (CID 46894279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).