2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile

C11H19FN2 — CID 46894281

IUPAC2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile
SMILESCCN(CC)C(C#N)C1(F)CCCC1
InChIInChI=1S/C11H19FN2/c1-3-14(4-2)10(9-13)11(12)7-5-6-8-11/h10H,3-8H2,1-2H3
InChIKeyVIECOFINHBEGRD-UHFFFAOYSA-N
MW198.28 g/mol
LogP2.50
Rot. Bonds4

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

2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile (PubChem CID 46894281) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile
PubChem CID46894281
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile
SMILESCCN(CC)C(C#N)C1(F)CCCC1
InChIInChI=1S/C11H19FN2/c1-3-14(4-2)10(9-13)11(12)7-5-6-8-11/h10H,3-8H2,1-2H3
InChIKeyVIECOFINHBEGRD-UHFFFAOYSA-N
XLogP2.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.50
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-fluorocyclopentyl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile (CID 46894281) is 2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile is CCN(CC)C(C#N)C1(F)CCCC1.
What is the InChIKey of 2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile?
The InChIKey is VIECOFINHBEGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-3-14(4-2)10(9-13)11(12)7-5-6-8-11/h10H,3-8H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile?
2-(diethylamino)-2-(1-fluorocyclopentyl)acetonitrile has a molecular weight of 198.28 g/mol, XLogP of 2.50, 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-fluorocyclopentyl)acetonitrile is sourced from PubChem (CID 46894281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).