(3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine

C5H11FN2 — CID 146163112

IUPAC(3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine
SMILESCN1C[C@H](N)[C@@H](F)C1
InChIInChI=1S/C5H11FN2/c1-8-2-4(6)5(7)3-8/h4-5H,2-3,7H2,1H3/t4-,5-/m0/s1
InChIKeyBXRXWVXIHLMZJR-WHFBIAKZSA-N
MW118.16 g/mol
LogP-0.40
Rot. Bonds

About (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine

(3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine (PubChem CID 146163112) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine
PubChem CID146163112
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine
SMILESCN1C[C@H](N)[C@@H](F)C1
InChIInChI=1S/C5H11FN2/c1-8-2-4(6)5(7)3-8/h4-5H,2-3,7H2,1H3/t4-,5-/m0/s1
InChIKeyBXRXWVXIHLMZJR-WHFBIAKZSA-N
XLogP-0.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine (CID 146163112) is (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine is CN1C[C@H](N)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine?
The InChIKey is BXRXWVXIHLMZJR-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11FN2/c1-8-2-4(6)5(7)3-8/h4-5H,2-3,7H2,1H3/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine?
(3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine has a molecular weight of 118.16 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 146163112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).