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

C6H13FN2 — CID 59902658

IUPAC(3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@H](CF)[C@H](N)C1
InChIInChI=1S/C6H13FN2/c1-9-3-5(2-7)6(8)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1
InChIKeyCWNCCWWSPZRZTP-NTSWFWBYSA-N
MW132.18 g/mol
LogP-0.16
Rot. Bonds1

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

(3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine (PubChem CID 59902658) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine
PubChem CID59902658
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@H](CF)[C@H](N)C1
InChIInChI=1S/C6H13FN2/c1-9-3-5(2-7)6(8)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1
InChIKeyCWNCCWWSPZRZTP-NTSWFWBYSA-N
XLogP-0.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine (CID 59902658) is (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine is CN1C[C@H](CF)[C@H](N)C1.
What is the InChIKey of (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is CWNCCWWSPZRZTP-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-9-3-5(2-7)6(8)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine?
(3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 132.18 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 59902658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).