(4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine

C12H23F2N — CID 135179024

IUPAC(4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1C[C@](F)(CF)CN1C(C)(C)C
InChIInChI=1S/C12H23F2N/c1-9(2)10-6-12(14,7-13)8-15(10)11(3,4)5/h9-10H,6-8H2,1-5H3/t10?,12-/m0/s1
InChIKeyLZBZZAVSSITZSZ-KFJBMODSSA-N
MW219.32 g/mol
LogP3.19
Rot. Bonds2

About (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine

(4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine (PubChem CID 135179024) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine
PubChem CID135179024
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1C[C@](F)(CF)CN1C(C)(C)C
InChIInChI=1S/C12H23F2N/c1-9(2)10-6-12(14,7-13)8-15(10)11(3,4)5/h9-10H,6-8H2,1-5H3/t10?,12-/m0/s1
InChIKeyLZBZZAVSSITZSZ-KFJBMODSSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine (CID 135179024) is (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine is CC(C)C1C[C@](F)(CF)CN1C(C)(C)C.
What is the InChIKey of (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine?
The InChIKey is LZBZZAVSSITZSZ-KFJBMODSSA-N. The full InChI is InChI=1S/C12H23F2N/c1-9(2)10-6-12(14,7-13)8-15(10)11(3,4)5/h9-10H,6-8H2,1-5H3/t10?,12-/m0/s1.
What are the key properties of (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine?
(4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine has a molecular weight of 219.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-fluoro-4-(fluoromethyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 135179024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).