1-tert-butyl-3-(difluoromethylidene)pyrrolidine

C9H15F2N — CID 176805116

IUPAC1-tert-butyl-3-(difluoromethylidene)pyrrolidine
SMILESCC(C)(C)N1CCC(=C(F)F)C1
InChIInChI=1S/C9H15F2N/c1-9(2,3)12-5-4-7(6-12)8(10)11/h4-6H2,1-3H3
InChIKeyLXTDXZRRTRAPMH-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.64
Rot. Bonds

About 1-tert-butyl-3-(difluoromethylidene)pyrrolidine

1-tert-butyl-3-(difluoromethylidene)pyrrolidine (PubChem CID 176805116) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethylidene)pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethylidene)pyrrolidine
PubChem CID176805116
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-tert-butyl-3-(difluoromethylidene)pyrrolidine
SMILESCC(C)(C)N1CCC(=C(F)F)C1
InChIInChI=1S/C9H15F2N/c1-9(2,3)12-5-4-7(6-12)8(10)11/h4-6H2,1-3H3
InChIKeyLXTDXZRRTRAPMH-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(difluoromethylidene)pyrrolidine?
The IUPAC name of 1-tert-butyl-3-(difluoromethylidene)pyrrolidine (CID 176805116) is 1-tert-butyl-3-(difluoromethylidene)pyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethylidene)pyrrolidine?
The canonical SMILES for 1-tert-butyl-3-(difluoromethylidene)pyrrolidine is CC(C)(C)N1CCC(=C(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(difluoromethylidene)pyrrolidine?
The InChIKey is LXTDXZRRTRAPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-9(2,3)12-5-4-7(6-12)8(10)11/h4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(difluoromethylidene)pyrrolidine?
1-tert-butyl-3-(difluoromethylidene)pyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(difluoromethylidene)pyrrolidine is sourced from PubChem (CID 176805116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).