HMAPBMXUWBCUFM-UHFFFAOYSA-N

Name: HMAPBMXUWBCUFM-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₉F₃O₂ — CID 121321819

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

IUPAC1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanone

SMILESCC(=O)C1C=CC(OC(F)(F)F)=CC1

InChIInChI=1S/C9H9F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2,4-5,7H,3H2,1H3

InChIKeyHMAPBMXUWBCUFM-UHFFFAOYSA-N

MW206.16 g/mol

LogP2.57

Rot. Bonds2

About HMAPBMXUWBCUFM-UHFFFAOYSA-N

HMAPBMXUWBCUFM-UHFFFAOYSA-N (PubChem CID 121321819) has the molecular formula C₉H₉F₃O₂ and a molecular weight of 206.16 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanone.

Molecular Properties

Compound Name	HMAPBMXUWBCUFM-UHFFFAOYSA-N
PubChem CID	121321819
Molecular Formula	C₉H₉F₃O₂
Molecular Weight	206.16 g/mol
Exact Mass	206.06
IUPAC Name	1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanone
SMILES	CC(=O)C1C=CC(OC(F)(F)F)=CC1
InChI	InChI=1S/C9H9F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2,4-5,7H,3H2,1H3
InChIKey	HMAPBMXUWBCUFM-UHFFFAOYSA-N
XLogP	2.57
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.16
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of HMAPBMXUWBCUFM-UHFFFAOYSA-N?

The IUPAC name of HMAPBMXUWBCUFM-UHFFFAOYSA-N (CID 121321819) is 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanone.

What is the SMILES notation for HMAPBMXUWBCUFM-UHFFFAOYSA-N?

The canonical SMILES for HMAPBMXUWBCUFM-UHFFFAOYSA-N is CC(=O)C1C=CC(OC(F)(F)F)=CC1.

What is the InChIKey of HMAPBMXUWBCUFM-UHFFFAOYSA-N?

The InChIKey is HMAPBMXUWBCUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2,4-5,7H,3H2,1H3.

What are the key properties of HMAPBMXUWBCUFM-UHFFFAOYSA-N?

HMAPBMXUWBCUFM-UHFFFAOYSA-N has a molecular weight of 206.16 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for HMAPBMXUWBCUFM-UHFFFAOYSA-N is sourced from PubChem (CID 121321819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 121321819 — identifiers, structure, computed properties (public domain)

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