1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile

C8H10ClFN2 — CID 131239261

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(C/C=C/Cl)C1
InChIInChI=1S/C8H10ClFN2/c9-3-1-4-12-5-2-8(10,6-11)7-12/h1,3H,2,4-5,7H2/b3-1+
InChIKeyHHJWRCNJXXVYJB-HNQUOIGGSA-N
MW188.63 g/mol
LogP1.68
Rot. Bonds2

About 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile

1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile (PubChem CID 131239261) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile
PubChem CID131239261
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(C/C=C/Cl)C1
InChIInChI=1S/C8H10ClFN2/c9-3-1-4-12-5-2-8(10,6-11)7-12/h1,3H,2,4-5,7H2/b3-1+
InChIKeyHHJWRCNJXXVYJB-HNQUOIGGSA-N
XLogP1.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile (CID 131239261) is 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile is N#CC1(F)CCN(C/C=C/Cl)C1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile?
The InChIKey is HHJWRCNJXXVYJB-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H10ClFN2/c9-3-1-4-12-5-2-8(10,6-11)7-12/h1,3H,2,4-5,7H2/b3-1+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile?
1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile has a molecular weight of 188.63 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-3-fluoropyrrolidine-3-carbonitrile is sourced from PubChem (CID 131239261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).