(3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine

C11H23FN2 — CID 135182753

IUPAC(3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1C[C@H](F)[C@H](N)C1C(C)(C)C
InChIInChI=1S/C11H23FN2/c1-7(2)14-6-8(12)9(13)10(14)11(3,4)5/h7-10H,6,13H2,1-5H3/t8-,9-,10?/m0/s1
InChIKeyBUPBRUWZCMEPHV-XMCUXHSSSA-N
MW202.32 g/mol
LogP1.79
Rot. Bonds1

About (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine

(3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 135182753) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
PubChem CID135182753
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name(3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1C[C@H](F)[C@H](N)C1C(C)(C)C
InChIInChI=1S/C11H23FN2/c1-7(2)14-6-8(12)9(13)10(14)11(3,4)5/h7-10H,6,13H2,1-5H3/t8-,9-,10?/m0/s1
InChIKeyBUPBRUWZCMEPHV-XMCUXHSSSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine (CID 135182753) is (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1C[C@H](F)[C@H](N)C1C(C)(C)C.
What is the InChIKey of (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is BUPBRUWZCMEPHV-XMCUXHSSSA-N. The full InChI is InChI=1S/C11H23FN2/c1-7(2)14-6-8(12)9(13)10(14)11(3,4)5/h7-10H,6,13H2,1-5H3/t8-,9-,10?/m0/s1.
What are the key properties of (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine?
(3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 202.32 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 135182753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).