1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine

C8H12ClF2N — CID 131232073

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine
SMILESFC(F)C1CCN(C/C=C/Cl)C1
InChIInChI=1S/C8H12ClF2N/c9-3-1-4-12-5-2-7(6-12)8(10)11/h1,3,7-8H,2,4-6H2/b3-1+
InChIKeyINQYLUHPHQNHIO-HNQUOIGGSA-N
MW195.64 g/mol
LogP2.33
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine

1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine (PubChem CID 131232073) has the molecular formula C8H12ClF2N and a molecular weight of 195.64 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine
PubChem CID131232073
Molecular FormulaC8H12ClF2N
Molecular Weight195.64 g/mol
Exact Mass195.06
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine
SMILESFC(F)C1CCN(C/C=C/Cl)C1
InChIInChI=1S/C8H12ClF2N/c9-3-1-4-12-5-2-7(6-12)8(10)11/h1,3,7-8H,2,4-6H2/b3-1+
InChIKeyINQYLUHPHQNHIO-HNQUOIGGSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.64
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine (CID 131232073) is 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine is FC(F)C1CCN(C/C=C/Cl)C1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine?
The InChIKey is INQYLUHPHQNHIO-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H12ClF2N/c9-3-1-4-12-5-2-7(6-12)8(10)11/h1,3,7-8H,2,4-6H2/b3-1+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine?
1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine has a molecular weight of 195.64 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)pyrrolidine is sourced from PubChem (CID 131232073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).