3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile

C9H14F2N2 — CID 131019754

IUPAC3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile
SMILESCC(F)(F)CNC1CCC(C#N)C1
InChIInChI=1S/C9H14F2N2/c1-9(10,11)6-13-8-3-2-7(4-8)5-12/h7-8,13H,2-4,6H2,1H3
InChIKeyKEOOAKXKRRZARK-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.92
Rot. Bonds3

About 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile

3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile (PubChem CID 131019754) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile
PubChem CID131019754
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile
SMILESCC(F)(F)CNC1CCC(C#N)C1
InChIInChI=1S/C9H14F2N2/c1-9(10,11)6-13-8-3-2-7(4-8)5-12/h7-8,13H,2-4,6H2,1H3
InChIKeyKEOOAKXKRRZARK-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile (CID 131019754) is 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile is CC(F)(F)CNC1CCC(C#N)C1.
What is the InChIKey of 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile?
The InChIKey is KEOOAKXKRRZARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-9(10,11)6-13-8-3-2-7(4-8)5-12/h7-8,13H,2-4,6H2,1H3.
What are the key properties of 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile?
3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile has a molecular weight of 188.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 131019754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).