1-(2,3-difluoropent-1-en-3-yl)pyrrolidine

C9H15F2N — CID 163757966

IUPAC1-(2,3-difluoropent-1-en-3-yl)pyrrolidine
SMILESC=C(F)C(F)(CC)N1CCCC1
InChIInChI=1S/C9H15F2N/c1-3-9(11,8(2)10)12-6-4-5-7-12/h2-7H2,1H3
InChIKeyLVSJTXKRDKKCRO-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.64
Rot. Bonds3

About 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine

1-(2,3-difluoropent-1-en-3-yl)pyrrolidine (PubChem CID 163757966) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,3-difluoropent-1-en-3-yl)pyrrolidine
PubChem CID163757966
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(2,3-difluoropent-1-en-3-yl)pyrrolidine
SMILESC=C(F)C(F)(CC)N1CCCC1
InChIInChI=1S/C9H15F2N/c1-3-9(11,8(2)10)12-6-4-5-7-12/h2-7H2,1H3
InChIKeyLVSJTXKRDKKCRO-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine?
The IUPAC name of 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine (CID 163757966) is 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine.
What is the SMILES notation for 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine?
The canonical SMILES for 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine is C=C(F)C(F)(CC)N1CCCC1.
What is the InChIKey of 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine?
The InChIKey is LVSJTXKRDKKCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-3-9(11,8(2)10)12-6-4-5-7-12/h2-7H2,1H3.
What are the key properties of 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine?
1-(2,3-difluoropent-1-en-3-yl)pyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoropent-1-en-3-yl)pyrrolidine is sourced from PubChem (CID 163757966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).