[(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite

C12H16FNO — CID 144508134

IUPAC[(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite
SMILESFOC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H16FNO/c13-15-10-12-7-4-8-14(12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKeyFBRVUDYHKGAZBA-LBPRGKRZSA-N
MW209.26 g/mol
LogP2.55
Rot. Bonds4

About [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite

[(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite (PubChem CID 144508134) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite.

Molecular Properties

Compound Name[(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite
PubChem CID144508134
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite
SMILESFOC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H16FNO/c13-15-10-12-7-4-8-14(12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKeyFBRVUDYHKGAZBA-LBPRGKRZSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(2S)-1-benzylpyrrolidin-2-yl]methanol
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(1-((2-(Aminomethyl)phenyl)methyl)pyrrolidin-2-yl)methanol
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N-Benzyl-1,4-dideoxy-1,4-imino-D-ribitol
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite?
The IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite (CID 144508134) is [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite.
What is the SMILES notation for [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite?
The canonical SMILES for [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite is FOC[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite?
The InChIKey is FBRVUDYHKGAZBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FNO/c13-15-10-12-7-4-8-14(12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1.
What are the key properties of [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite?
[(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite has a molecular weight of 209.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite is sourced from PubChem (CID 144508134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).