4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine

C11H21F2N — CID 138617861

IUPAC4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine
SMILESCCC(C)C1CN(C(C)C)CC1(F)F
InChIInChI=1S/C11H21F2N/c1-5-9(4)10-6-14(8(2)3)7-11(10,12)13/h8-10H,5-7H2,1-4H3
InChIKeyILAHVZKAKOCKHU-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.01
Rot. Bonds3

About 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine

4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine (PubChem CID 138617861) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine
PubChem CID138617861
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine
SMILESCCC(C)C1CN(C(C)C)CC1(F)F
InChIInChI=1S/C11H21F2N/c1-5-9(4)10-6-14(8(2)3)7-11(10,12)13/h8-10H,5-7H2,1-4H3
InChIKeyILAHVZKAKOCKHU-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine?
The IUPAC name of 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine (CID 138617861) is 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine is CCC(C)C1CN(C(C)C)CC1(F)F.
What is the InChIKey of 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine?
The InChIKey is ILAHVZKAKOCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-5-9(4)10-6-14(8(2)3)7-11(10,12)13/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine?
4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine has a molecular weight of 205.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 138617861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).