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

C13H25FS — CID 14113329

IUPACtrans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane
SMILESCS[C@@H]1CCCCCCCCCC[C@H]1F
InChIInChI=1S/C13H25FS/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h12-13H,2-11H2,1H3/t12-,13-/m1/s1
InChIKeyHLTWZCNLCKRJKC-CHWSQXEVSA-N
MW232.41 g/mol
LogP4.97
Rot. Bonds1

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

trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane (PubChem CID 14113329) has the molecular formula C13H25FS and a molecular weight of 232.41 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane
PubChem CID14113329
Molecular FormulaC13H25FS
Molecular Weight232.41 g/mol
Exact Mass232.17
IUPAC Nametrans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane
SMILESCS[C@@H]1CCCCCCCCCC[C@H]1F
InChIInChI=1S/C13H25FS/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h12-13H,2-11H2,1H3/t12-,13-/m1/s1
InChIKeyHLTWZCNLCKRJKC-CHWSQXEVSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylsulfanyl-2-fluorocyclohexane
CID 66796045
dimethyl-(2-methylsulfanylcyclooctyl)sulfanium
CID 3879450
2-methylsulfanylcyclohexane-1-thiol
CID 88978519
(1R)-2-methylsulfanylcyclohexan-1-ol
CID 130694561
(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 118661743
2-methylsulfanylcycloheptane-1-carboxylic acid
CID 63098267
1,2,3,4,5,6-hexafluorocyclododecane
CID 118221471
2,6-bis(methylsulfanyl)cyclohexan-1-ol
CID 130142292
2-methylsulfanylcyclopentane-1-thiol
CID 88978520
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane?
The IUPAC name of trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane (CID 14113329) is trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane is CS[C@@H]1CCCCCCCCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane?
The InChIKey is HLTWZCNLCKRJKC-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H25FS/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h12-13H,2-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane?
trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane has a molecular weight of 232.41 g/mol, XLogP of 4.97, 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-methylsulfanylcyclododecane is sourced from PubChem (CID 14113329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).