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

C10H17F2N — CID 134531049

IUPAC1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine
SMILESC=C(C)C(C)(F)C(F)N1CCCC1
InChIInChI=1S/C10H17F2N/c1-8(2)10(3,12)9(11)13-6-4-5-7-13/h9H,1,4-7H2,2-3H3
InChIKeyLRTDVSATQXMWRE-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.68
Rot. Bonds3

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

1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine (PubChem CID 134531049) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine
PubChem CID134531049
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine
SMILESC=C(C)C(C)(F)C(F)N1CCCC1
InChIInChI=1S/C10H17F2N/c1-8(2)10(3,12)9(11)13-6-4-5-7-13/h9H,1,4-7H2,2-3H3
InChIKeyLRTDVSATQXMWRE-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.68
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-2,3-dimethylbut-3-enyl)pyrrolidine?
The IUPAC name of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine (CID 134531049) is 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine.
What is the SMILES notation for 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine?
The canonical SMILES for 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine is C=C(C)C(C)(F)C(F)N1CCCC1.
What is the InChIKey of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine?
The InChIKey is LRTDVSATQXMWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(2)10(3,12)9(11)13-6-4-5-7-13/h9H,1,4-7H2,2-3H3.
What are the key properties of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine?
1-(1,2-difluoro-2,3-dimethylbut-3-enyl)pyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 2.68, 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-2,3-dimethylbut-3-enyl)pyrrolidine is sourced from PubChem (CID 134531049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).