1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine

C9H15F2N — CID 134531037

IUPAC1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine
SMILESC=CC(C)(F)C(F)N1CCCC1
InChIInChI=1S/C9H15F2N/c1-3-9(2,11)8(10)12-6-4-5-7-12/h3,8H,1,4-7H2,2H3
InChIKeyPHEZXLGETSGXRL-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.29
Rot. Bonds3

About 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine

1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine (PubChem CID 134531037) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine
PubChem CID134531037
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine
SMILESC=CC(C)(F)C(F)N1CCCC1
InChIInChI=1S/C9H15F2N/c1-3-9(2,11)8(10)12-6-4-5-7-12/h3,8H,1,4-7H2,2H3
InChIKeyPHEZXLGETSGXRL-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine?
The IUPAC name of 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine (CID 134531037) is 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine.
What is the SMILES notation for 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine?
The canonical SMILES for 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine is C=CC(C)(F)C(F)N1CCCC1.
What is the InChIKey of 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine?
The InChIKey is PHEZXLGETSGXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-3-9(2,11)8(10)12-6-4-5-7-12/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine?
1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoro-2-methylbut-3-enyl)pyrrolidine is sourced from PubChem (CID 134531037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).