ANYFQXRQFPJATO-UHFFFAOYSA-N

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

C₂₀H₁₉ClF₂O₃ — CID 118037881

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

IUPACmethyl 3-chloro-5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxybenzoate

SMILESCOC(=O)c1cc(C2CC2)c(-c2ccc(F)cc2F)c(Cl)c1OC(C)C

InChIInChI=1S/C20H19ClF2O3/c1-10(2)26-19-15(20(24)25-3)9-14(11-4-5-11)17(18(19)21)13-7-6-12(22)8-16(13)23/h6-11H,4-5H2,1-3H3

InChIKeyANYFQXRQFPJATO-UHFFFAOYSA-N

MW380.82 g/mol

LogP5.74

Rot. Bonds5

About ANYFQXRQFPJATO-UHFFFAOYSA-N

ANYFQXRQFPJATO-UHFFFAOYSA-N (PubChem CID 118037881) has the molecular formula C₂₀H₁₉ClF₂O₃ and a molecular weight of 380.82 g/mol. Its IUPAC name is methyl 3-chloro-5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Name	ANYFQXRQFPJATO-UHFFFAOYSA-N
PubChem CID	118037881
Molecular Formula	C₂₀H₁₉ClF₂O₃
Molecular Weight	380.82 g/mol
Exact Mass	380.10
IUPAC Name	methyl 3-chloro-5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxybenzoate
SMILES	COC(=O)c1cc(C2CC2)c(-c2ccc(F)cc2F)c(Cl)c1OC(C)C
InChI	InChI=1S/C20H19ClF2O3/c1-10(2)26-19-15(20(24)25-3)9-14(11-4-5-11)17(18(19)21)13-7-6-12(22)8-16(13)23/h6-11H,4-5H2,1-3H3
InChIKey	ANYFQXRQFPJATO-UHFFFAOYSA-N
XLogP	5.74
TPSA	35.53 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.82
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of ANYFQXRQFPJATO-UHFFFAOYSA-N (CID 118037881) is methyl 3-chloro-5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxybenzoate.

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

The canonical SMILES for ANYFQXRQFPJATO-UHFFFAOYSA-N is COC(=O)c1cc(C2CC2)c(-c2ccc(F)cc2F)c(Cl)c1OC(C)C.

What is the InChIKey of ANYFQXRQFPJATO-UHFFFAOYSA-N?

The InChIKey is ANYFQXRQFPJATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2O3/c1-10(2)26-19-15(20(24)25-3)9-14(11-4-5-11)17(18(19)21)13-7-6-12(22)8-16(13)23/h6-11H,4-5H2,1-3H3.

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

ANYFQXRQFPJATO-UHFFFAOYSA-N has a molecular weight of 380.82 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ANYFQXRQFPJATO-UHFFFAOYSA-N is sourced from PubChem (CID 118037881), 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 118037881 — identifiers, structure, computed properties (public domain)

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