1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile

C11H19FN2 — CID 46894284

IUPAC1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile
SMILESCCN(CC)C1(C#N)CCCCC1F
InChIInChI=1S/C11H19FN2/c1-3-14(4-2)11(9-13)8-6-5-7-10(11)12/h10H,3-8H2,1-2H3
InChIKeyOHDPVKBCGPCVCW-UHFFFAOYSA-N
MW198.28 g/mol
LogP2.50
Rot. Bonds3

About 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile

1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile (PubChem CID 46894284) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile
PubChem CID46894284
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile
SMILESCCN(CC)C1(C#N)CCCCC1F
InChIInChI=1S/C11H19FN2/c1-3-14(4-2)11(9-13)8-6-5-7-10(11)12/h10H,3-8H2,1-2H3
InChIKeyOHDPVKBCGPCVCW-UHFFFAOYSA-N
XLogP2.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile?
The IUPAC name of 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile (CID 46894284) is 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile?
The canonical SMILES for 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile is CCN(CC)C1(C#N)CCCCC1F.
What is the InChIKey of 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile?
The InChIKey is OHDPVKBCGPCVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-3-14(4-2)11(9-13)8-6-5-7-10(11)12/h10H,3-8H2,1-2H3.
What are the key properties of 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile?
1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile has a molecular weight of 198.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-2-fluorocyclohexane-1-carbonitrile is sourced from PubChem (CID 46894284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).