[(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine

C9H19FN2 — CID 166766940

IUPAC[(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine
SMILESCC(C)(C)[C@@H]1C[C@](F)(CN)CN1
InChIInChI=1S/C9H19FN2/c1-8(2,3)7-4-9(10,5-11)6-12-7/h7,12H,4-6,11H2,1-3H3/t7-,9-/m0/s1
InChIKeyXYFAJUQQNUOAAE-CBAPKCEASA-N
MW174.26 g/mol
LogP1.06
Rot. Bonds1

About [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine

[(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine (PubChem CID 166766940) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine
PubChem CID166766940
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name[(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine
SMILESCC(C)(C)[C@@H]1C[C@](F)(CN)CN1
InChIInChI=1S/C9H19FN2/c1-8(2,3)7-4-9(10,5-11)6-12-7/h7,12H,4-6,11H2,1-3H3/t7-,9-/m0/s1
InChIKeyXYFAJUQQNUOAAE-CBAPKCEASA-N
XLogP1.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine (CID 166766940) is [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine is CC(C)(C)[C@@H]1C[C@](F)(CN)CN1.
What is the InChIKey of [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine?
The InChIKey is XYFAJUQQNUOAAE-CBAPKCEASA-N. The full InChI is InChI=1S/C9H19FN2/c1-8(2,3)7-4-9(10,5-11)6-12-7/h7,12H,4-6,11H2,1-3H3/t7-,9-/m0/s1.
What are the key properties of [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine?
[(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine has a molecular weight of 174.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-tert-butyl-3-fluoropyrrolidin-3-yl]methanamine is sourced from PubChem (CID 166766940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).