1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane

Name: 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₇F₃O — CID 19026517

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

IUPAC1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane

SMILESCOC1CCC(C2CCC(CCC(F)(F)F)CC2)CC1

InChIInChI=1S/C16H27F3O/c1-20-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16(17,18)19/h12-15H,2-11H2,1H3

InChIKeyNNXCEXQLEXAZOI-UHFFFAOYSA-N

MW292.38 g/mol

LogP5.34

Rot. Bonds4

About 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane

1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane (PubChem CID 19026517) has the molecular formula C₁₆H₂₇F₃O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name	1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
PubChem CID	19026517
Molecular Formula	C₁₆H₂₇F₃O
Molecular Weight	292.38 g/mol
Exact Mass	292.20
IUPAC Name	1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
SMILES	COC1CCC(C2CCC(CCC(F)(F)F)CC2)CC1
InChI	InChI=1S/C16H27F3O/c1-20-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16(17,18)19/h12-15H,2-11H2,1H3
InChIKey	NNXCEXQLEXAZOI-UHFFFAOYSA-N
XLogP	5.34
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	292.38
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane?

The IUPAC name of 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane (CID 19026517) is 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane.

What is the SMILES notation for 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane?

The canonical SMILES for 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane is COC1CCC(C2CCC(CCC(F)(F)F)CC2)CC1.

What is the InChIKey of 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane?

The InChIKey is NNXCEXQLEXAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O/c1-20-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16(17,18)19/h12-15H,2-11H2,1H3.

What are the key properties of 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane?

1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane has a molecular weight of 292.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19026517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 19026517 — identifiers, structure, computed properties (public domain)

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