trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane

C7H10ClF3S — CID 11687189

IUPACtrans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane
SMILESFC(F)(F)S[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C7H10ClF3S/c8-5-3-1-2-4-6(5)12-7(9,10)11/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyATTXNIPRGBFANT-PHDIDXHHSA-N
MW218.67 g/mol
LogP3.79
Rot. Bonds1

About trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane

trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane (PubChem CID 11687189) has the molecular formula C7H10ClF3S and a molecular weight of 218.67 g/mol. Its IUPAC name is trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane
PubChem CID11687189
Molecular FormulaC7H10ClF3S
Molecular Weight218.67 g/mol
Exact Mass218.01
IUPAC Nametrans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane
SMILESFC(F)(F)S[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C7H10ClF3S/c8-5-3-1-2-4-6(5)12-7(9,10)11/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyATTXNIPRGBFANT-PHDIDXHHSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.67
LogP ≤ 53.79
H-Bond Donors ≤ 50
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 trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane?
The IUPAC name of trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane (CID 11687189) is trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane?
The canonical SMILES for trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane is FC(F)(F)S[C@@H]1CCCC[C@H]1Cl.
What is the InChIKey of trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane?
The InChIKey is ATTXNIPRGBFANT-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H10ClF3S/c8-5-3-1-2-4-6(5)12-7(9,10)11/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane?
trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane has a molecular weight of 218.67 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-chloro-2-(trifluoromethylsulfanyl)cyclohexane is sourced from PubChem (CID 11687189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).