(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine

C10H21FN2 — CID 130301851

IUPAC(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CN(C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C10H21FN2/c1-10(2,3)13-6-8(11)9(7-13)12(4)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeyHLSHAIWBISLOKQ-DTWKUNHWSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds1

About (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine

(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine (PubChem CID 130301851) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine
PubChem CID130301851
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CN(C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C10H21FN2/c1-10(2,3)13-6-8(11)9(7-13)12(4)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeyHLSHAIWBISLOKQ-DTWKUNHWSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine (CID 130301851) is (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@@H]1CN(C(C)(C)C)C[C@@H]1F.
What is the InChIKey of (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is HLSHAIWBISLOKQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21FN2/c1-10(2,3)13-6-8(11)9(7-13)12(4)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1.
What are the key properties of (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine?
(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 130301851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).