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

C11H23FN2 — CID 135179026

IUPAC(3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)C1[C@H](N)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C11H23FN2/c1-7(2)10-9(13)8(12)6-14(10)11(3,4)5/h7-10H,6,13H2,1-5H3/t8-,9+,10?/m0/s1
InChIKeyXVMNNDJVKCSXMK-QIIDTADFSA-N
MW202.32 g/mol
LogP1.79
Rot. Bonds1

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

(3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine (PubChem CID 135179026) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine
PubChem CID135179026
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name(3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)C1[C@H](N)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C11H23FN2/c1-7(2)10-9(13)8(12)6-14(10)11(3,4)5/h7-10H,6,13H2,1-5H3/t8-,9+,10?/m0/s1
InChIKeyXVMNNDJVKCSXMK-QIIDTADFSA-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 (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine (CID 135179026) is (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine is CC(C)C1[C@H](N)[C@@H](F)CN1C(C)(C)C.
What is the InChIKey of (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine?
The InChIKey is XVMNNDJVKCSXMK-QIIDTADFSA-N. The full InChI is InChI=1S/C11H23FN2/c1-7(2)10-9(13)8(12)6-14(10)11(3,4)5/h7-10H,6,13H2,1-5H3/t8-,9+,10?/m0/s1.
What are the key properties of (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine?
(3S,4S)-1-tert-butyl-4-fluoro-2-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 (3S,4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 135179026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).