6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol

C18H26F4O4 — CID 177082644

IUPAC6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1c(F)c(F)c(OCCCCCCO)c(F)c1F
InChIInChI=1S/C18H26F4O4/c19-13-15(21)18(26-12-8-4-2-6-10-24)16(22)14(20)17(13)25-11-7-3-1-5-9-23/h23-24H,1-12H2
InChIKeyZGMKFBDTDWQXFK-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.11
Rot. Bonds14

About 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol

6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol (PubChem CID 177082644) has the molecular formula C18H26F4O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
PubChem CID177082644
Molecular FormulaC18H26F4O4
Molecular Weight382.39 g/mol
Exact Mass382.18
IUPAC Name6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1c(F)c(F)c(OCCCCCCO)c(F)c1F
InChIInChI=1S/C18H26F4O4/c19-13-15(21)18(26-12-8-4-2-6-10-24)16(22)14(20)17(13)25-11-7-3-1-5-9-23/h23-24H,1-12H2
InChIKeyZGMKFBDTDWQXFK-UHFFFAOYSA-N
XLogP4.11
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol?
The IUPAC name of 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol (CID 177082644) is 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol is OCCCCCCOc1c(F)c(F)c(OCCCCCCO)c(F)c1F.
What is the InChIKey of 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol?
The InChIKey is ZGMKFBDTDWQXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4O4/c19-13-15(21)18(26-12-8-4-2-6-10-24)16(22)14(20)17(13)25-11-7-3-1-5-9-23/h23-24H,1-12H2.
What are the key properties of 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol?
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol has a molecular weight of 382.39 g/mol, XLogP of 4.11, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol is sourced from PubChem (CID 177082644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).