4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine

C10H17F2N — CID 130250105

IUPAC4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine
SMILESCCC1CC(=C(F)F)CN1C(C)C
InChIInChI=1S/C10H17F2N/c1-4-9-5-8(10(11)12)6-13(9)7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyXIMIHPRLJXUBPA-UHFFFAOYSA-N
MW189.25 g/mol
LogP3.03
Rot. Bonds2

About 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine

4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine (PubChem CID 130250105) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine
PubChem CID130250105
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine
SMILESCCC1CC(=C(F)F)CN1C(C)C
InChIInChI=1S/C10H17F2N/c1-4-9-5-8(10(11)12)6-13(9)7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyXIMIHPRLJXUBPA-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine (CID 130250105) is 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine is CCC1CC(=C(F)F)CN1C(C)C.
What is the InChIKey of 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine?
The InChIKey is XIMIHPRLJXUBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-4-9-5-8(10(11)12)6-13(9)7(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine?
4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 130250105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).