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

C7H13FS — CID 15939465

IUPACtrans-(1S,2S)-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-/m0/s1
InChIKeyPCLYWTBYNXWRCT-BQBZGAKWSA-N
MW148.25 g/mol
LogP2.63
Rot. Bonds1

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

trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane (PubChem CID 15939465) has the molecular formula C7H13FS and a molecular weight of 148.25 g/mol. Its IUPAC name is trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane
PubChem CID15939465
Molecular FormulaC7H13FS
Molecular Weight148.25 g/mol
Exact Mass148.07
IUPAC Nametrans-(1S,2S)-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-/m0/s1
InChIKeyPCLYWTBYNXWRCT-BQBZGAKWSA-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-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane?
The IUPAC name of trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane (CID 15939465) is trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane.
What is the SMILES notation for trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane?
The canonical SMILES for trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane is CS[C@H]1CCCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane?
The InChIKey is PCLYWTBYNXWRCT-BQBZGAKWSA-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-/m0/s1.
What are the key properties of trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane?
trans-(1S,2S)-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-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane is sourced from PubChem (CID 15939465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).