1-(4-fluorocyclohexyl)-4-methylcycloheptane

Name: 1-(4-fluorocyclohexyl)-4-methylcycloheptane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₅F — CID 142144551

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

IUPAC1-(4-fluorocyclohexyl)-4-methylcycloheptane

SMILESCC1CCCC(C2CCC(F)CC2)CC1

InChIInChI=1S/C14H25F/c1-11-3-2-4-12(6-5-11)13-7-9-14(15)10-8-13/h11-14H,2-10H2,1H3

InChIKeyIGJNVTRKRAGVMP-UHFFFAOYSA-N

MW212.35 g/mol

LogP4.73

Rot. Bonds1

About 1-(4-fluorocyclohexyl)-4-methylcycloheptane

1-(4-fluorocyclohexyl)-4-methylcycloheptane (PubChem CID 142144551) has the molecular formula C₁₄H₂₅F and a molecular weight of 212.35 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-4-methylcycloheptane.

Molecular Properties

Compound Name	1-(4-fluorocyclohexyl)-4-methylcycloheptane
PubChem CID	142144551
Molecular Formula	C₁₄H₂₅F
Molecular Weight	212.35 g/mol
Exact Mass	212.19
IUPAC Name	1-(4-fluorocyclohexyl)-4-methylcycloheptane
SMILES	CC1CCCC(C2CCC(F)CC2)CC1
InChI	InChI=1S/C14H25F/c1-11-3-2-4-12(6-5-11)13-7-9-14(15)10-8-13/h11-14H,2-10H2,1H3
InChIKey	IGJNVTRKRAGVMP-UHFFFAOYSA-N
XLogP	4.73
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	1
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.35
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-4-methylcycloheptane?

The IUPAC name of 1-(4-fluorocyclohexyl)-4-methylcycloheptane (CID 142144551) is 1-(4-fluorocyclohexyl)-4-methylcycloheptane.

What is the SMILES notation for 1-(4-fluorocyclohexyl)-4-methylcycloheptane?

The canonical SMILES for 1-(4-fluorocyclohexyl)-4-methylcycloheptane is CC1CCCC(C2CCC(F)CC2)CC1.

What is the InChIKey of 1-(4-fluorocyclohexyl)-4-methylcycloheptane?

The InChIKey is IGJNVTRKRAGVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F/c1-11-3-2-4-12(6-5-11)13-7-9-14(15)10-8-13/h11-14H,2-10H2,1H3.

What are the key properties of 1-(4-fluorocyclohexyl)-4-methylcycloheptane?

1-(4-fluorocyclohexyl)-4-methylcycloheptane has a molecular weight of 212.35 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorocyclohexyl)-4-methylcycloheptane is sourced from PubChem (CID 142144551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142144551 — identifiers, structure, computed properties (public domain)

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