(3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine

C6H13FN2 — CID 54390411

IUPAC(3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine
SMILESCN[C@@]1(CF)CCNC1
InChIInChI=1S/C6H13FN2/c1-8-6(4-7)2-3-9-5-6/h8-9H,2-5H2,1H3/t6-/m1/s1
InChIKeyVGFSOUATIZSRIU-ZCFIWIBFSA-N
MW132.18 g/mol
LogP-0.09
Rot. Bonds2

About (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine

(3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine (PubChem CID 54390411) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine
PubChem CID54390411
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine
SMILESCN[C@@]1(CF)CCNC1
InChIInChI=1S/C6H13FN2/c1-8-6(4-7)2-3-9-5-6/h8-9H,2-5H2,1H3/t6-/m1/s1
InChIKeyVGFSOUATIZSRIU-ZCFIWIBFSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine (CID 54390411) is (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine is CN[C@@]1(CF)CCNC1.
What is the InChIKey of (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is VGFSOUATIZSRIU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13FN2/c1-8-6(4-7)2-3-9-5-6/h8-9H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine?
(3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 132.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(fluoromethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 54390411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).