[(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine

C6H13FN2 — CID 11094660

IUPAC[(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@]1(CF)CCNC1
InChIInChI=1S/C6H13FN2/c7-3-6(4-8)1-2-9-5-6/h9H,1-5,8H2/t6-/m0/s1
InChIKeyVUEBHWKQKMZJMJ-LURJTMIESA-N
MW132.18 g/mol
LogP-0.11
Rot. Bonds2

About [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine

[(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine (PubChem CID 11094660) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine
PubChem CID11094660
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name[(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@]1(CF)CCNC1
InChIInChI=1S/C6H13FN2/c7-3-6(4-8)1-2-9-5-6/h9H,1-5,8H2/t6-/m0/s1
InChIKeyVUEBHWKQKMZJMJ-LURJTMIESA-N
XLogP-0.11
TPSA38.05 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 ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine (CID 11094660) is [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine is NC[C@@]1(CF)CCNC1.
What is the InChIKey of [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is VUEBHWKQKMZJMJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H13FN2/c7-3-6(4-8)1-2-9-5-6/h9H,1-5,8H2/t6-/m0/s1.
What are the key properties of [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine?
[(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 132.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(fluoromethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 11094660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).