VQLUDVVLMTYQHA-UHFFFAOYSA-N

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

C₁₉H₁₂ClF₃N₂O₂ — CID 71105450

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

IUPAC5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]pyridin-2-amine

SMILESFc1cccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1

InChIInChI=1S/C19H12ClF3N2O2/c20-15-8-17-16(26-19(22,23)27-17)7-14(15)12-4-5-18(25-10-12)24-9-11-2-1-3-13(21)6-11/h1-8,10H,9H2,(H,24,25)

InChIKeyVQLUDVVLMTYQHA-UHFFFAOYSA-N

MW392.76 g/mol

LogP5.47

Rot. Bonds4

About VQLUDVVLMTYQHA-UHFFFAOYSA-N

VQLUDVVLMTYQHA-UHFFFAOYSA-N (PubChem CID 71105450) has the molecular formula C₁₉H₁₂ClF₃N₂O₂ and a molecular weight of 392.76 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name	VQLUDVVLMTYQHA-UHFFFAOYSA-N
PubChem CID	71105450
Molecular Formula	C₁₉H₁₂ClF₃N₂O₂
Molecular Weight	392.76 g/mol
Exact Mass	392.05
IUPAC Name	5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]pyridin-2-amine
SMILES	Fc1cccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1
InChI	InChI=1S/C19H12ClF3N2O2/c20-15-8-17-16(26-19(22,23)27-17)7-14(15)12-4-5-18(25-10-12)24-9-11-2-1-3-13(21)6-11/h1-8,10H,9H2,(H,24,25)
InChIKey	VQLUDVVLMTYQHA-UHFFFAOYSA-N
XLogP	5.47
TPSA	43.38 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.76
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of VQLUDVVLMTYQHA-UHFFFAOYSA-N (CID 71105450) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]pyridin-2-amine.

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

The canonical SMILES for VQLUDVVLMTYQHA-UHFFFAOYSA-N is Fc1cccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1.

What is the InChIKey of VQLUDVVLMTYQHA-UHFFFAOYSA-N?

The InChIKey is VQLUDVVLMTYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O2/c20-15-8-17-16(26-19(22,23)27-17)7-14(15)12-4-5-18(25-10-12)24-9-11-2-1-3-13(21)6-11/h1-8,10H,9H2,(H,24,25).

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

VQLUDVVLMTYQHA-UHFFFAOYSA-N has a molecular weight of 392.76 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for VQLUDVVLMTYQHA-UHFFFAOYSA-N is sourced from PubChem (CID 71105450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 71105450 — identifiers, structure, computed properties (public domain)

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