(4S)-3-tert-butyl-4-fluoropyrrolidine

C8H16FN — CID 146488138

IUPAC(4S)-3-tert-butyl-4-fluoropyrrolidine
SMILESCC(C)(C)C1CNC[C@H]1F
InChIInChI=1S/C8H16FN/c1-8(2,3)6-4-10-5-7(6)9/h6-7,10H,4-5H2,1-3H3/t6?,7-/m1/s1
InChIKeyXNVWXPUOKLOSMH-COBSHVIPSA-N
MW145.22 g/mol
LogP1.59
Rot. Bonds

About (4S)-3-tert-butyl-4-fluoropyrrolidine

(4S)-3-tert-butyl-4-fluoropyrrolidine (PubChem CID 146488138) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (4S)-3-tert-butyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name(4S)-3-tert-butyl-4-fluoropyrrolidine
PubChem CID146488138
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(4S)-3-tert-butyl-4-fluoropyrrolidine
SMILESCC(C)(C)C1CNC[C@H]1F
InChIInChI=1S/C8H16FN/c1-8(2,3)6-4-10-5-7(6)9/h6-7,10H,4-5H2,1-3H3/t6?,7-/m1/s1
InChIKeyXNVWXPUOKLOSMH-COBSHVIPSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-tert-butyl-4-fluoropyrrolidine?
The IUPAC name of (4S)-3-tert-butyl-4-fluoropyrrolidine (CID 146488138) is (4S)-3-tert-butyl-4-fluoropyrrolidine.
What is the SMILES notation for (4S)-3-tert-butyl-4-fluoropyrrolidine?
The canonical SMILES for (4S)-3-tert-butyl-4-fluoropyrrolidine is CC(C)(C)C1CNC[C@H]1F.
What is the InChIKey of (4S)-3-tert-butyl-4-fluoropyrrolidine?
The InChIKey is XNVWXPUOKLOSMH-COBSHVIPSA-N. The full InChI is InChI=1S/C8H16FN/c1-8(2,3)6-4-10-5-7(6)9/h6-7,10H,4-5H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of (4S)-3-tert-butyl-4-fluoropyrrolidine?
(4S)-3-tert-butyl-4-fluoropyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-tert-butyl-4-fluoropyrrolidine is sourced from PubChem (CID 146488138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).