trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane

C7H13FS — CID 14113327

IUPACtrans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane
SMILESCS[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C7H13FS/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyPCLYWTBYNXWRCT-RNFRBKRXSA-N
MW148.25 g/mol
LogP2.63
Rot. Bonds1

About trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane

trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane (PubChem CID 14113327) has the molecular formula C7H13FS and a molecular weight of 148.25 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane
PubChem CID14113327
Molecular FormulaC7H13FS
Molecular Weight148.25 g/mol
Exact Mass148.07
IUPAC Nametrans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane
SMILESCS[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C7H13FS/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyPCLYWTBYNXWRCT-RNFRBKRXSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane?
The IUPAC name of trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane (CID 14113327) is trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane is CS[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane?
The InChIKey is PCLYWTBYNXWRCT-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13FS/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane?
trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclohexane has a molecular weight of 148.25 g/mol, XLogP of 2.63, 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-fluoro-2-methylsulfanylcyclohexane is sourced from PubChem (CID 14113327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).