3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine

C9H15F2N — CID 177054012

IUPAC3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1C(=C(F)F)CCN1C
InChIInChI=1S/C9H15F2N/c1-6(2)8-7(9(10)11)4-5-12(8)3/h6,8H,4-5H2,1-3H3
InChIKeyUTYVFHJOOMDHEE-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.50
Rot. Bonds1

About 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine

3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine (PubChem CID 177054012) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
PubChem CID177054012
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1C(=C(F)F)CCN1C
InChIInChI=1S/C9H15F2N/c1-6(2)8-7(9(10)11)4-5-12(8)3/h6,8H,4-5H2,1-3H3
InChIKeyUTYVFHJOOMDHEE-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine (CID 177054012) is 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine is CC(C)C1C(=C(F)F)CCN1C.
What is the InChIKey of 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is UTYVFHJOOMDHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6(2)8-7(9(10)11)4-5-12(8)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine?
3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 177054012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).