4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine

C10H19F2N — CID 58779071

IUPAC4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(F)(F)CN1C(C)C
InChIInChI=1S/C10H19F2N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyDDJUPYJQAKFEPG-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds2

About 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine

4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 58779071) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine
PubChem CID58779071
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(F)(F)CN1C(C)C
InChIInChI=1S/C10H19F2N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyDDJUPYJQAKFEPG-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine (CID 58779071) is 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine is CC(C)C1CC(F)(F)CN1C(C)C.
What is the InChIKey of 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is DDJUPYJQAKFEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine?
4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58779071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).