YFTWOGBQLHFLQP-UHFFFAOYSA-N

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

C₁₈H₁₇F₃N₄O₃ — CID 152512357

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

IUPAC6-oxa-1-azaspiro[3.3]heptan-1-yl-[2-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone

SMILESO=C(c1cnc(NCc2cccc(OC(F)(F)F)c2)nc1)N1CCC12COC2

InChIInChI=1S/C18H17F3N4O3/c19-18(20,21)28-14-3-1-2-12(6-14)7-22-16-23-8-13(9-24-16)15(26)25-5-4-17(25)10-27-11-17/h1-3,6,8-9H,4-5,7,10-11H2,(H,22,23,24)

InChIKeyYFTWOGBQLHFLQP-UHFFFAOYSA-N

MW394.35 g/mol

LogP2.60

Rot. Bonds5

About YFTWOGBQLHFLQP-UHFFFAOYSA-N

YFTWOGBQLHFLQP-UHFFFAOYSA-N (PubChem CID 152512357) has the molecular formula C₁₈H₁₇F₃N₄O₃ and a molecular weight of 394.35 g/mol. Its IUPAC name is 6-oxa-1-azaspiro[3.3]heptan-1-yl-[2-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name	YFTWOGBQLHFLQP-UHFFFAOYSA-N
PubChem CID	152512357
Molecular Formula	C₁₈H₁₇F₃N₄O₃
Molecular Weight	394.35 g/mol
Exact Mass	394.13
IUPAC Name	6-oxa-1-azaspiro[3.3]heptan-1-yl-[2-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone
SMILES	O=C(c1cnc(NCc2cccc(OC(F)(F)F)c2)nc1)N1CCC12COC2
InChI	InChI=1S/C18H17F3N4O3/c19-18(20,21)28-14-3-1-2-12(6-14)7-22-16-23-8-13(9-24-16)15(26)25-5-4-17(25)10-27-11-17/h1-3,6,8-9H,4-5,7,10-11H2,(H,22,23,24)
InChIKey	YFTWOGBQLHFLQP-UHFFFAOYSA-N
XLogP	2.60
TPSA	76.58 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.35
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of YFTWOGBQLHFLQP-UHFFFAOYSA-N (CID 152512357) is 6-oxa-1-azaspiro[3.3]heptan-1-yl-[2-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone.

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

The canonical SMILES for YFTWOGBQLHFLQP-UHFFFAOYSA-N is O=C(c1cnc(NCc2cccc(OC(F)(F)F)c2)nc1)N1CCC12COC2.

What is the InChIKey of YFTWOGBQLHFLQP-UHFFFAOYSA-N?

The InChIKey is YFTWOGBQLHFLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c19-18(20,21)28-14-3-1-2-12(6-14)7-22-16-23-8-13(9-24-16)15(26)25-5-4-17(25)10-27-11-17/h1-3,6,8-9H,4-5,7,10-11H2,(H,22,23,24).

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

YFTWOGBQLHFLQP-UHFFFAOYSA-N has a molecular weight of 394.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for YFTWOGBQLHFLQP-UHFFFAOYSA-N is sourced from PubChem (CID 152512357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 152512357 — identifiers, structure, computed properties (public domain)

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