2,2,6-trichloro-6-fluorocyclohexane-1,1-diol

C6H8Cl3FO2 — CID 18970946

IUPAC2,2,6-trichloro-6-fluorocyclohexane-1,1-diol
SMILESOC1(O)C(F)(Cl)CCCC1(Cl)Cl
InChIInChI=1S/C6H8Cl3FO2/c7-4(8)2-1-3-5(9,10)6(4,11)12/h11-12H,1-3H2
InChIKeyVUCXFCSHAHXIKU-UHFFFAOYSA-N
MW237.48 g/mol
LogP1.93
Rot. Bonds

About 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol

2,2,6-trichloro-6-fluorocyclohexane-1,1-diol (PubChem CID 18970946) has the molecular formula C6H8Cl3FO2 and a molecular weight of 237.48 g/mol. Its IUPAC name is 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol.

Molecular Properties

Compound Name2,2,6-trichloro-6-fluorocyclohexane-1,1-diol
PubChem CID18970946
Molecular FormulaC6H8Cl3FO2
Molecular Weight237.48 g/mol
Exact Mass235.96
IUPAC Name2,2,6-trichloro-6-fluorocyclohexane-1,1-diol
SMILESOC1(O)C(F)(Cl)CCCC1(Cl)Cl
InChIInChI=1S/C6H8Cl3FO2/c7-4(8)2-1-3-5(9,10)6(4,11)12/h11-12H,1-3H2
InChIKeyVUCXFCSHAHXIKU-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-2,6-difluorocyclohexane-1,1-diol
CID 18970970
1,1,2,2,3,3-hexachlorocyclohexane
CID 22272158
platinum;2,2,3,3-tetrachlorocyclohexane-1,1-diamine
CID 88701201
cyclohexane-1,1,2,2,3,3-hexol
CID 22138202
1-aminocyclobutan-1-ol;hydrochloride
CID 135146045
cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol
CID 10376231
2,2-dichlorocyclopentane-1,1-diamine;platinum
CID 88780620
3a,6a-difluoro-1,2,3,4,5,6-hexahydropentalene
CID 175896210
bicyclo[3.3.3]undecane-1,5-diol
CID 5251734
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093
1,1-dichlorocyclobutane;hydrofluoride
CID 174902728
(1S,6R)-2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide
CID 51381490

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol?
The IUPAC name of 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol (CID 18970946) is 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol.
What is the SMILES notation for 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol?
The canonical SMILES for 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol is OC1(O)C(F)(Cl)CCCC1(Cl)Cl.
What is the InChIKey of 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol?
The InChIKey is VUCXFCSHAHXIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl3FO2/c7-4(8)2-1-3-5(9,10)6(4,11)12/h11-12H,1-3H2.
What are the key properties of 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol?
2,2,6-trichloro-6-fluorocyclohexane-1,1-diol has a molecular weight of 237.48 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trichloro-6-fluorocyclohexane-1,1-diol is sourced from PubChem (CID 18970946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).