3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine

C9H15F2N — CID 159621822

IUPAC3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine
SMILESC=C(C(C)C)N1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-7(2)8(3)12-5-4-9(10,11)6-12/h7H,3-6H2,1-2H3
InChIKeyHHRKATIDFJUCTC-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.50
Rot. Bonds2

About 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine

3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine (PubChem CID 159621822) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine
PubChem CID159621822
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine
SMILESC=C(C(C)C)N1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-7(2)8(3)12-5-4-9(10,11)6-12/h7H,3-6H2,1-2H3
InChIKeyHHRKATIDFJUCTC-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine (CID 159621822) is 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine is C=C(C(C)C)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine?
The InChIKey is HHRKATIDFJUCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(2)8(3)12-5-4-9(10,11)6-12/h7H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine?
3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 159621822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).