4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine

C9H17F2N — CID 176557242

IUPAC4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(F)(F)CC1(C)C
InChIInChI=1S/C9H17F2N/c1-7(2)12-6-9(10,11)5-8(12,3)4/h7H,5-6H2,1-4H3
InChIKeyHFRCJPNBGJBZSK-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.51
Rot. Bonds1

About 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine

4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine (PubChem CID 176557242) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine
PubChem CID176557242
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(F)(F)CC1(C)C
InChIInChI=1S/C9H17F2N/c1-7(2)12-6-9(10,11)5-8(12,3)4/h7H,5-6H2,1-4H3
InChIKeyHFRCJPNBGJBZSK-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine (CID 176557242) is 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine is CC(C)N1CC(F)(F)CC1(C)C.
What is the InChIKey of 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine?
The InChIKey is HFRCJPNBGJBZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)12-6-9(10,11)5-8(12,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine?
4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2-dimethyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 176557242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).