[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane

C8H11Cl2F3 — CID 95049167

IUPAC[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
SMILESFC(F)(Cl)[C@@](F)(Cl)C1CCCCC1
InChIInChI=1S/C8H11Cl2F3/c9-7(11,8(10,12)13)6-4-2-1-3-5-6/h6H,1-5H2/t7-/m1/s1
InChIKeyNTMQOCVGFBDYTB-SSDOTTSWSA-N
MW235.08 g/mol
LogP4.30
Rot. Bonds2

About [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane

[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane (PubChem CID 95049167) has the molecular formula C8H11Cl2F3 and a molecular weight of 235.08 g/mol. Its IUPAC name is [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane.

Molecular Properties

Compound Name[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
PubChem CID95049167
Molecular FormulaC8H11Cl2F3
Molecular Weight235.08 g/mol
Exact Mass234.02
IUPAC Name[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
SMILESFC(F)(Cl)[C@@](F)(Cl)C1CCCCC1
InChIInChI=1S/C8H11Cl2F3/c9-7(11,8(10,12)13)6-4-2-1-3-5-6/h6H,1-5H2/t7-/m1/s1
InChIKeyNTMQOCVGFBDYTB-SSDOTTSWSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane?
The IUPAC name of [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane (CID 95049167) is [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane.
What is the SMILES notation for [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane?
The canonical SMILES for [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane is FC(F)(Cl)[C@@](F)(Cl)C1CCCCC1.
What is the InChIKey of [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane?
The InChIKey is NTMQOCVGFBDYTB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11Cl2F3/c9-7(11,8(10,12)13)6-4-2-1-3-5-6/h6H,1-5H2/t7-/m1/s1.
What are the key properties of [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane?
[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane has a molecular weight of 235.08 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane is sourced from PubChem (CID 95049167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).