cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol

C6H8Cl3FO — CID 10376231

IUPACcis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol
SMILESO[C@@H]1C(Cl)(Cl)CCC[C@]1(F)Cl
InChIInChI=1S/C6H8Cl3FO/c7-5(8)2-1-3-6(9,10)4(5)11/h4,11H,1-3H2/t4-,6-/m1/s1
InChIKeyUPAAPMLQQUDVIH-INEUFUBQSA-N
MW221.49 g/mol
LogP2.61
Rot. Bonds

About cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol

cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol (PubChem CID 10376231) has the molecular formula C6H8Cl3FO and a molecular weight of 221.49 g/mol. Its IUPAC name is cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol
PubChem CID10376231
Molecular FormulaC6H8Cl3FO
Molecular Weight221.49 g/mol
Exact Mass219.96
IUPAC Namecis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol
SMILESO[C@@H]1C(Cl)(Cl)CCC[C@]1(F)Cl
InChIInChI=1S/C6H8Cl3FO/c7-5(8)2-1-3-6(9,10)4(5)11/h4,11H,1-3H2/t4-,6-/m1/s1
InChIKeyUPAAPMLQQUDVIH-INEUFUBQSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol?
The IUPAC name of cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol (CID 10376231) is cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol.
What is the SMILES notation for cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol?
The canonical SMILES for cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol is O[C@@H]1C(Cl)(Cl)CCC[C@]1(F)Cl.
What is the InChIKey of cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol?
The InChIKey is UPAAPMLQQUDVIH-INEUFUBQSA-N. The full InChI is InChI=1S/C6H8Cl3FO/c7-5(8)2-1-3-6(9,10)4(5)11/h4,11H,1-3H2/t4-,6-/m1/s1.
What are the key properties of cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol?
cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol has a molecular weight of 221.49 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol is sourced from PubChem (CID 10376231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).