Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane

Name: Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₃₀FN — CID 155780139

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACfluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane

SMILESCC1=CC(N2CCCCC2)=CC=CC1.CCC.CF

InChIInChI=1S/C13H19N.C3H8.CH3F/c1-12-7-3-4-8-13(11-12)14-9-5-2-6-10-14;1-3-2;1-2/h3-4,8,11H,2,5-7,9-10H2,1H3;3H2,1-2H3;1H3

InChIKeyVHIWHVWVIFSJJV-UHFFFAOYSA-N

MW267.43 g/mol

LogP5.26

Rot. Bonds1

About Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane

Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane (PubChem CID 155780139) has the molecular formula C₁₇H₃₀FN and a molecular weight of 267.43 g/mol. Its IUPAC name is fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane.

Molecular Properties

Compound Name	Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane
PubChem CID	155780139
Molecular Formula	C₁₇H₃₀FN
Molecular Weight	267.43 g/mol
Exact Mass	267.24
IUPAC Name	fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane
SMILES	CC1=CC(N2CCCCC2)=CC=CC1.CCC.CF
InChI	InChI=1S/C13H19N.C3H8.CH3F/c1-12-7-3-4-8-13(11-12)14-9-5-2-6-10-14;1-3-2;1-2/h3-4,8,11H,2,5-7,9-10H2,1H3;3H2,1-2H3;1H3
InChIKey	VHIWHVWVIFSJJV-UHFFFAOYSA-N
XLogP	5.26
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	267.43
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane?

The IUPAC name of Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane (CID 155780139) is fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane.

What is the SMILES notation for Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane?

The canonical SMILES for Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane is CC1=CC(N2CCCCC2)=CC=CC1.CCC.CF.

What is the InChIKey of Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane?

The InChIKey is VHIWHVWVIFSJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C3H8.CH3F/c1-12-7-3-4-8-13(11-12)14-9-5-2-6-10-14;1-3-2;1-2/h3-4,8,11H,2,5-7,9-10H2,1H3;3H2,1-2H3;1H3.

What are the key properties of Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane?

Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane has a molecular weight of 267.43 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane is sourced from PubChem (CID 155780139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155780139 — identifiers, structure, computed properties (public domain)

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