(2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile

C9H14F2N2 — CID 89018966

IUPAC(2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile
SMILESCCC(C)N1CC(F)(F)C[C@@H]1C#N
InChIInChI=1S/C9H14F2N2/c1-3-7(2)13-6-9(10,11)4-8(13)5-12/h7-8H,3-4,6H2,1-2H3/t7?,8-/m1/s1
InChIKeyYWOVWQGBLXLIKO-BRFYHDHCSA-N
MW188.22 g/mol
LogP2.02
Rot. Bonds2

About (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile

(2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile (PubChem CID 89018966) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile
PubChem CID89018966
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name(2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile
SMILESCCC(C)N1CC(F)(F)C[C@@H]1C#N
InChIInChI=1S/C9H14F2N2/c1-3-7(2)13-6-9(10,11)4-8(13)5-12/h7-8H,3-4,6H2,1-2H3/t7?,8-/m1/s1
InChIKeyYWOVWQGBLXLIKO-BRFYHDHCSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile?
The IUPAC name of (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile (CID 89018966) is (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile?
The canonical SMILES for (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile is CCC(C)N1CC(F)(F)C[C@@H]1C#N.
What is the InChIKey of (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile?
The InChIKey is YWOVWQGBLXLIKO-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-3-7(2)13-6-9(10,11)4-8(13)5-12/h7-8H,3-4,6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile?
(2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile has a molecular weight of 188.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butan-2-yl-4,4-difluoropyrrolidine-2-carbonitrile is sourced from PubChem (CID 89018966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).