GXDUCDGTURDHPG-UHFFFAOYSA-N

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

C₃₇H₃₃F₇N₂ — CID 20637521

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

IUPAC4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline

SMILESCC(C)c1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1

InChIInChI=1S/C37H33F7N2/c1-22(2)29-20-26(35(38,36(39,40)41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28/h5-23,33,46H,1-4H3

InChIKeyGXDUCDGTURDHPG-UHFFFAOYSA-N

MW638.67 g/mol

LogP11.64

Rot. Bonds8

About GXDUCDGTURDHPG-UHFFFAOYSA-N

GXDUCDGTURDHPG-UHFFFAOYSA-N (PubChem CID 20637521) has the molecular formula C₃₇H₃₃F₇N₂ and a molecular weight of 638.67 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name	GXDUCDGTURDHPG-UHFFFAOYSA-N
PubChem CID	20637521
Molecular Formula	C₃₇H₃₃F₇N₂
Molecular Weight	638.67 g/mol
Exact Mass	638.25
IUPAC Name	4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline
SMILES	CC(C)c1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1
InChI	InChI=1S/C37H33F7N2/c1-22(2)29-20-26(35(38,36(39,40)41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28/h5-23,33,46H,1-4H3
InChIKey	GXDUCDGTURDHPG-UHFFFAOYSA-N
XLogP	11.64
TPSA	24.92 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	8
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.67
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of GXDUCDGTURDHPG-UHFFFAOYSA-N (CID 20637521) is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline.

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

The canonical SMILES for GXDUCDGTURDHPG-UHFFFAOYSA-N is CC(C)c1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.

What is the InChIKey of GXDUCDGTURDHPG-UHFFFAOYSA-N?

The InChIKey is GXDUCDGTURDHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33F7N2/c1-22(2)29-20-26(35(38,36(39,40)41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28/h5-23,33,46H,1-4H3.

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

GXDUCDGTURDHPG-UHFFFAOYSA-N has a molecular weight of 638.67 g/mol, XLogP of 11.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for GXDUCDGTURDHPG-UHFFFAOYSA-N is sourced from PubChem (CID 20637521), 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 20637521 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.