4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine

C10H17F2N — CID 146244449

IUPAC4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine
SMILESCC(C)=C1CC(F)(F)CN1C(C)C
InChIInChI=1S/C10H17F2N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4/h8H,5-6H2,1-4H3
InChIKeyNTDDFAHDLLJRLF-UHFFFAOYSA-N
MW189.25 g/mol
LogP3.03
Rot. Bonds1

About 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine

4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine (PubChem CID 146244449) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine
PubChem CID146244449
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine
SMILESCC(C)=C1CC(F)(F)CN1C(C)C
InChIInChI=1S/C10H17F2N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4/h8H,5-6H2,1-4H3
InChIKeyNTDDFAHDLLJRLF-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine?
The IUPAC name of 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine (CID 146244449) is 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine.
What is the SMILES notation for 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine?
The canonical SMILES for 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine is CC(C)=C1CC(F)(F)CN1C(C)C.
What is the InChIKey of 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine?
The InChIKey is NTDDFAHDLLJRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4/h8H,5-6H2,1-4H3.
What are the key properties of 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine?
4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine is sourced from PubChem (CID 146244449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).