(2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile

C6H8F2N2 — CID 88974966

IUPAC(2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile
SMILESCN1CC(F)(F)C[C@@H]1C#N
InChIInChI=1S/C6H8F2N2/c1-10-4-6(7,8)2-5(10)3-9/h5H,2,4H2,1H3/t5-/m1/s1
InChIKeyWRVWEDBUCFSYCY-RXMQYKEDSA-N
MW146.14 g/mol
LogP0.85
Rot. Bonds

About (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile

(2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile (PubChem CID 88974966) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile
PubChem CID88974966
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name(2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile
SMILESCN1CC(F)(F)C[C@@H]1C#N
InChIInChI=1S/C6H8F2N2/c1-10-4-6(7,8)2-5(10)3-9/h5H,2,4H2,1H3/t5-/m1/s1
InChIKeyWRVWEDBUCFSYCY-RXMQYKEDSA-N
XLogP0.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile?
The IUPAC name of (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile (CID 88974966) is (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile is CN1CC(F)(F)C[C@@H]1C#N.
What is the InChIKey of (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile?
The InChIKey is WRVWEDBUCFSYCY-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-10-4-6(7,8)2-5(10)3-9/h5H,2,4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile?
(2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile has a molecular weight of 146.14 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-1-methylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 88974966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).