NIGJZKSNSAZYMR-BQHMLIOBSA-N

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

C₁₀H₁₉FO₅ — CID 91699163

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

IUPAC(2R,3R,4S,5S,6R)-2-(fluoromethyl)-3,4,5,6-tetramethoxyoxane

SMILESCO[C@@H]1O[C@@H](CF)[C@H](OC)[C@H](OC)[C@@H]1OC

InChIInChI=1S/C10H19FO5/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h6-10H,5H2,1-4H3/t6-,7-,8-,9-,10+/m0/s1

InChIKeyNIGJZKSNSAZYMR-BQHMLIOBSA-N

MW238.25 g/mol

LogP0.37

Rot. Bonds5

About NIGJZKSNSAZYMR-BQHMLIOBSA-N

NIGJZKSNSAZYMR-BQHMLIOBSA-N (PubChem CID 91699163) has the molecular formula C₁₀H₁₉FO₅ and a molecular weight of 238.25 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-(fluoromethyl)-3,4,5,6-tetramethoxyoxane.

Molecular Properties

Compound Name	NIGJZKSNSAZYMR-BQHMLIOBSA-N
PubChem CID	91699163
Molecular Formula	C₁₀H₁₉FO₅
Molecular Weight	238.25 g/mol
Exact Mass	238.12
IUPAC Name	(2R,3R,4S,5S,6R)-2-(fluoromethyl)-3,4,5,6-tetramethoxyoxane
SMILES	CO[C@@H]1O[C@@H](CF)[C@H](OC)[C@H](OC)[C@@H]1OC
InChI	InChI=1S/C10H19FO5/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h6-10H,5H2,1-4H3/t6-,7-,8-,9-,10+/m0/s1
InChIKey	NIGJZKSNSAZYMR-BQHMLIOBSA-N
XLogP	0.37
TPSA	46.15 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.25
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of NIGJZKSNSAZYMR-BQHMLIOBSA-N?

The IUPAC name of NIGJZKSNSAZYMR-BQHMLIOBSA-N (CID 91699163) is (2R,3R,4S,5S,6R)-2-(fluoromethyl)-3,4,5,6-tetramethoxyoxane.

What is the SMILES notation for NIGJZKSNSAZYMR-BQHMLIOBSA-N?

The canonical SMILES for NIGJZKSNSAZYMR-BQHMLIOBSA-N is CO[C@@H]1O[C@@H](CF)[C@H](OC)[C@H](OC)[C@@H]1OC.

What is the InChIKey of NIGJZKSNSAZYMR-BQHMLIOBSA-N?

The InChIKey is NIGJZKSNSAZYMR-BQHMLIOBSA-N. The full InChI is InChI=1S/C10H19FO5/c1-12-7-6(5-11)16-10(15-4)9(14-3)8(7)13-2/h6-10H,5H2,1-4H3/t6-,7-,8-,9-,10+/m0/s1.

What are the key properties of NIGJZKSNSAZYMR-BQHMLIOBSA-N?

NIGJZKSNSAZYMR-BQHMLIOBSA-N has a molecular weight of 238.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for NIGJZKSNSAZYMR-BQHMLIOBSA-N is sourced from PubChem (CID 91699163), 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 91699163 — identifiers, structure, computed properties (public domain)

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