[(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine

C10H19FN2O — CID 130668393

IUPAC[(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1CC1CCOC1
InChIInChI=1S/C10H19FN2O/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8/h8-10H,1-7,12H2/t8?,9-,10-/m0/s1
InChIKeyJKLMFCMNEFWDDP-AGROOBSYSA-N
MW202.27 g/mol
LogP0.39
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine

[(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 130668393) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID130668393
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name[(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1CC1CCOC1
InChIInChI=1S/C10H19FN2O/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8/h8-10H,1-7,12H2/t8?,9-,10-/m0/s1
InChIKeyJKLMFCMNEFWDDP-AGROOBSYSA-N
XLogP0.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64568824
3,3,3-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 64568829
1,1,1-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine
CID 64571035
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanamine
CID 102784936
2-fluoro-N-[(oxolan-3-yl)methyl]cyclopentan-1-amine
CID 126857813
3-fluoro-N-(oxolan-3-ylmethyl)cyclopentan-1-amine
CID 130626073
2-(Fluoromethyl)-1-(oxolan-3-ylmethyl)pyrrolidine
CID 130641009
4-[(3-Fluoropyrrolidin-1-yl)methyl]oxolan-3-amine
CID 164657931
3-[(3-Fluoropyrrolidin-1-yl)methyl]oxolan-3-amine
CID 164657932
4-(Ethoxymethyl)-1-methylpyrrolidin-3-amine
CID 163870458
[5-(Aminomethyl)-1-(4-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 164123690
2-(Oxolan-3-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 16784453

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine (CID 130668393) is [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@H](F)CN1CC1CCOC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is JKLMFCMNEFWDDP-AGROOBSYSA-N. The full InChI is InChI=1S/C10H19FN2O/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8/h8-10H,1-7,12H2/t8?,9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine?
[(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 202.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 130668393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).