[2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol

C8H8ClF3O2 — CID 66712894

IUPAC[2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C(Cl)=C(F)C=C(F)C1(F)CO
InChIInChI=1S/C8H8ClF3O2/c9-7-4(2-13)8(12,3-14)6(11)1-5(7)10/h1,4,13-14H,2-3H2
InChIKeyRJZKHHSCVKREET-UHFFFAOYSA-N
MW228.60 g/mol
LogP1.58
Rot. Bonds2

About [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol

[2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 66712894) has the molecular formula C8H8ClF3O2 and a molecular weight of 228.60 g/mol. Its IUPAC name is [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID66712894
Molecular FormulaC8H8ClF3O2
Molecular Weight228.60 g/mol
Exact Mass228.02
IUPAC Name[2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C(Cl)=C(F)C=C(F)C1(F)CO
InChIInChI=1S/C8H8ClF3O2/c9-7-4(2-13)8(12,3-14)6(11)1-5(7)10/h1,4,13-14H,2-3H2
InChIKeyRJZKHHSCVKREET-UHFFFAOYSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.60
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol (CID 66712894) is [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol is OCC1C(Cl)=C(F)C=C(F)C1(F)CO.
What is the InChIKey of [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is RJZKHHSCVKREET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3O2/c9-7-4(2-13)8(12,3-14)6(11)1-5(7)10/h1,4,13-14H,2-3H2.
What are the key properties of [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol?
[2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 228.60 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3,5,6-trifluoro-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 66712894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).