ILUGCTIGYZFJCR-SJORKVTESA-N

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

C₁₈H₁₈F₅NOS — CID 68862460

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

IUPAC(2R)-3-[(4-fluorophenyl)methylsulfanyl]-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propan-1-ol

SMILESOC[C@H](CSCc1ccc(F)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F

InChIInChI=1S/C18H18F5NOS/c19-14-5-1-12(2-6-14)10-26-11-16(9-25)24-17(18(21,22)23)13-3-7-15(20)8-4-13/h1-8,16-17,24-25H,9-11H2/t16-,17+/m1/s1

InChIKeyILUGCTIGYZFJCR-SJORKVTESA-N

MW391.41 g/mol

LogP4.45

Rot. Bonds8

About ILUGCTIGYZFJCR-SJORKVTESA-N

ILUGCTIGYZFJCR-SJORKVTESA-N (PubChem CID 68862460) has the molecular formula C₁₈H₁₈F₅NOS and a molecular weight of 391.41 g/mol. Its IUPAC name is (2R)-3-[(4-fluorophenyl)methylsulfanyl]-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name	ILUGCTIGYZFJCR-SJORKVTESA-N
PubChem CID	68862460
Molecular Formula	C₁₈H₁₈F₅NOS
Molecular Weight	391.41 g/mol
Exact Mass	391.10
IUPAC Name	(2R)-3-[(4-fluorophenyl)methylsulfanyl]-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propan-1-ol
SMILES	OC[C@H](CSCc1ccc(F)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F
InChI	InChI=1S/C18H18F5NOS/c19-14-5-1-12(2-6-14)10-26-11-16(9-25)24-17(18(21,22)23)13-3-7-15(20)8-4-13/h1-8,16-17,24-25H,9-11H2/t16-,17+/m1/s1
InChIKey	ILUGCTIGYZFJCR-SJORKVTESA-N
XLogP	4.45
TPSA	32.26 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.41
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ILUGCTIGYZFJCR-SJORKVTESA-N?

The IUPAC name of ILUGCTIGYZFJCR-SJORKVTESA-N (CID 68862460) is (2R)-3-[(4-fluorophenyl)methylsulfanyl]-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propan-1-ol.

What is the SMILES notation for ILUGCTIGYZFJCR-SJORKVTESA-N?

The canonical SMILES for ILUGCTIGYZFJCR-SJORKVTESA-N is OC[C@H](CSCc1ccc(F)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F.

What is the InChIKey of ILUGCTIGYZFJCR-SJORKVTESA-N?

The InChIKey is ILUGCTIGYZFJCR-SJORKVTESA-N. The full InChI is InChI=1S/C18H18F5NOS/c19-14-5-1-12(2-6-14)10-26-11-16(9-25)24-17(18(21,22)23)13-3-7-15(20)8-4-13/h1-8,16-17,24-25H,9-11H2/t16-,17+/m1/s1.

What are the key properties of ILUGCTIGYZFJCR-SJORKVTESA-N?

ILUGCTIGYZFJCR-SJORKVTESA-N has a molecular weight of 391.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ILUGCTIGYZFJCR-SJORKVTESA-N is sourced from PubChem (CID 68862460), 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 68862460 — identifiers, structure, computed properties (public domain)

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