4-(4-methylpiperidin-1-yl)butyl hypofluorite

C10H20FNO — CID 174317127

IUPAC4-(4-methylpiperidin-1-yl)butyl hypofluorite
SMILESCC1CCN(CCCCOF)CC1
InChIInChI=1S/C10H20FNO/c1-10-4-7-12(8-5-10)6-2-3-9-13-11/h10H,2-9H2,1H3
InChIKeyYNXUCMKGCBJVQQ-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.40
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)butyl hypofluorite

4-(4-methylpiperidin-1-yl)butyl hypofluorite (PubChem CID 174317127) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)butyl hypofluorite.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)butyl hypofluorite
PubChem CID174317127
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-(4-methylpiperidin-1-yl)butyl hypofluorite
SMILESCC1CCN(CCCCOF)CC1
InChIInChI=1S/C10H20FNO/c1-10-4-7-12(8-5-10)6-2-3-9-13-11/h10H,2-9H2,1H3
InChIKeyYNXUCMKGCBJVQQ-UHFFFAOYSA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)butyl hypofluorite?
The IUPAC name of 4-(4-methylpiperidin-1-yl)butyl hypofluorite (CID 174317127) is 4-(4-methylpiperidin-1-yl)butyl hypofluorite.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)butyl hypofluorite?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)butyl hypofluorite is CC1CCN(CCCCOF)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)butyl hypofluorite?
The InChIKey is YNXUCMKGCBJVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10-4-7-12(8-5-10)6-2-3-9-13-11/h10H,2-9H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)butyl hypofluorite?
4-(4-methylpiperidin-1-yl)butyl hypofluorite has a molecular weight of 189.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)butyl hypofluorite is sourced from PubChem (CID 174317127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).