1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine

C10H17F2N — CID 175570338

IUPAC1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine
SMILESCC1C(=C(F)F)CCN1C(C)(C)C
InChIInChI=1S/C10H17F2N/c1-7-8(9(11)12)5-6-13(7)10(2,3)4/h7H,5-6H2,1-4H3
InChIKeyMLWIQCWJLVZXTR-UHFFFAOYSA-N
MW189.25 g/mol
LogP3.03
Rot. Bonds

About 1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine

1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine (PubChem CID 175570338) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine
PubChem CID175570338
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine
SMILESCC1C(=C(F)F)CCN1C(C)(C)C
InChIInChI=1S/C10H17F2N/c1-7-8(9(11)12)5-6-13(7)10(2,3)4/h7H,5-6H2,1-4H3
InChIKeyMLWIQCWJLVZXTR-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 53.03
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)-2-methylpyrrolidine?
The IUPAC name of 1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine (CID 175570338) is 1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine?
The canonical SMILES for 1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine is CC1C(=C(F)F)CCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine?
The InChIKey is MLWIQCWJLVZXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7-8(9(11)12)5-6-13(7)10(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine?
1-tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 3.03, 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)-2-methylpyrrolidine is sourced from PubChem (CID 175570338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).