4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine

C10H17F2N — CID 174214129

IUPAC4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CC1CC(=C(F)F)CN1
InChIInChI=1S/C10H17F2N/c1-10(2,3)5-8-4-7(6-13-8)9(11)12/h8,13H,4-6H2,1-3H3
InChIKeyFRQRJYFNOTWQNR-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.94
Rot. Bonds1

About 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine

4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine (PubChem CID 174214129) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine
PubChem CID174214129
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CC1CC(=C(F)F)CN1
InChIInChI=1S/C10H17F2N/c1-10(2,3)5-8-4-7(6-13-8)9(11)12/h8,13H,4-6H2,1-3H3
InChIKeyFRQRJYFNOTWQNR-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine (CID 174214129) is 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine is CC(C)(C)CC1CC(=C(F)F)CN1.
What is the InChIKey of 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine?
The InChIKey is FRQRJYFNOTWQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-10(2,3)5-8-4-7(6-13-8)9(11)12/h8,13H,4-6H2,1-3H3.
What are the key properties of 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine?
4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 174214129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).