BLJIAVWUMQWLGO-UHFFFAOYSA-N

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

C₂₀H₂₁F₅ — CID 162576999

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

IUPAC2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-1-(trifluoromethyl)benzene

SMILESCC1CCC(C2=CCC(c3ccc(C(F)(F)F)c(F)c3)C(F)=C2)CC1

InChIInChI=1S/C20H21F5/c1-12-2-4-13(5-3-12)14-6-8-16(18(21)10-14)15-7-9-17(19(22)11-15)20(23,24)25/h6-7,9-13,16H,2-5,8H2,1H3

InChIKeyBLJIAVWUMQWLGO-UHFFFAOYSA-N

MW356.38 g/mol

LogP6.94

Rot. Bonds2

About BLJIAVWUMQWLGO-UHFFFAOYSA-N

BLJIAVWUMQWLGO-UHFFFAOYSA-N (PubChem CID 162576999) has the molecular formula C₂₀H₂₁F₅ and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name	BLJIAVWUMQWLGO-UHFFFAOYSA-N
PubChem CID	162576999
Molecular Formula	C₂₀H₂₁F₅
Molecular Weight	356.38 g/mol
Exact Mass	356.16
IUPAC Name	2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-1-(trifluoromethyl)benzene
SMILES	CC1CCC(C2=CCC(c3ccc(C(F)(F)F)c(F)c3)C(F)=C2)CC1
InChI	InChI=1S/C20H21F5/c1-12-2-4-13(5-3-12)14-6-8-16(18(21)10-14)15-7-9-17(19(22)11-15)20(23,24)25/h6-7,9-13,16H,2-5,8H2,1H3
InChIKey	BLJIAVWUMQWLGO-UHFFFAOYSA-N
XLogP	6.94
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	2
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.38
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of BLJIAVWUMQWLGO-UHFFFAOYSA-N (CID 162576999) is 2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-1-(trifluoromethyl)benzene.

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

The canonical SMILES for BLJIAVWUMQWLGO-UHFFFAOYSA-N is CC1CCC(C2=CCC(c3ccc(C(F)(F)F)c(F)c3)C(F)=C2)CC1.

What is the InChIKey of BLJIAVWUMQWLGO-UHFFFAOYSA-N?

The InChIKey is BLJIAVWUMQWLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5/c1-12-2-4-13(5-3-12)14-6-8-16(18(21)10-14)15-7-9-17(19(22)11-15)20(23,24)25/h6-7,9-13,16H,2-5,8H2,1H3.

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

BLJIAVWUMQWLGO-UHFFFAOYSA-N has a molecular weight of 356.38 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for BLJIAVWUMQWLGO-UHFFFAOYSA-N is sourced from PubChem (CID 162576999), 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 162576999 — identifiers, structure, computed properties (public domain)

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