1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile

C9H13FN2O — CID 126992670

IUPAC1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile
SMILESCC1(C#N)CN(C(=O)C(C)(C)F)C1
InChIInChI=1S/C9H13FN2O/c1-8(2,10)7(13)12-5-9(3,4-11)6-12/h5-6H2,1-3H3
InChIKeyQYLTXTJLTSZFCW-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.11
Rot. Bonds1

About 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile

1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile (PubChem CID 126992670) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile
PubChem CID126992670
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile
SMILESCC1(C#N)CN(C(=O)C(C)(C)F)C1
InChIInChI=1S/C9H13FN2O/c1-8(2,10)7(13)12-5-9(3,4-11)6-12/h5-6H2,1-3H3
InChIKeyQYLTXTJLTSZFCW-UHFFFAOYSA-N
XLogP1.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile?
The IUPAC name of 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile (CID 126992670) is 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile?
The canonical SMILES for 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile is CC1(C#N)CN(C(=O)C(C)(C)F)C1.
What is the InChIKey of 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile?
The InChIKey is QYLTXTJLTSZFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-8(2,10)7(13)12-5-9(3,4-11)6-12/h5-6H2,1-3H3.
What are the key properties of 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile?
1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile has a molecular weight of 184.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile is sourced from PubChem (CID 126992670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).