UHGCIXYZRDIOMW-UHFFFAOYSA-N

C₂₁H₂₂F₄O₂ — CID 162547687

About UHGCIXYZRDIOMW-UHFFFAOYSA-N

UHGCIXYZRDIOMW-UHFFFAOYSA-N (PubChem CID 162547687) has the molecular formula C₂₁H₂₂F₄O₂ and a molecular weight of 382.40 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenoxy]-[4-(4-methylcyclohexyl)phenyl]methanol.

Molecular Properties

• Compound Name: UHGCIXYZRDIOMW-UHFFFAOYSA-N
• PubChem CID: 162547687
• Molecular Formula: C₂₁H₂₂F₄O₂
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.16
• IUPAC Name: [3-fluoro-4-(trifluoromethyl)phenoxy]-[4-(4-methylcyclohexyl)phenyl]methanol
• SMILES: CC1CCC(c2ccc(C(O)Oc3ccc(C(F)(F)F)c(F)c3)cc2)CC1
• InChI: InChI=1S/C21H22F4O2/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20(26)27-17-10-11-18(19(22)12-17)21(23,24)25/h6-14,20,26H,2-5H2,1H3
• InChIKey: UHGCIXYZRDIOMW-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of UHGCIXYZRDIOMW-UHFFFAOYSA-N (CID 162547687) is [3-fluoro-4-(trifluoromethyl)phenoxy]-[4-(4-methylcyclohexyl)phenyl]methanol.

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

The canonical SMILES for UHGCIXYZRDIOMW-UHFFFAOYSA-N is CC1CCC(c2ccc(C(O)Oc3ccc(C(F)(F)F)c(F)c3)cc2)CC1.

What is the InChIKey of UHGCIXYZRDIOMW-UHFFFAOYSA-N?

The InChIKey is UHGCIXYZRDIOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4O2/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20(26)27-17-10-11-18(19(22)12-17)21(23,24)25/h6-14,20,26H,2-5H2,1H3.

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

UHGCIXYZRDIOMW-UHFFFAOYSA-N has a molecular weight of 382.40 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for UHGCIXYZRDIOMW-UHFFFAOYSA-N is sourced from PubChem (CID 162547687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162547687 — identifiers, structure, computed properties (public domain)

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