(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane

C7H14F2S2 — CID 166005111

IUPAC(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane
SMILESCSS[C@H](CC(F)F)C(C)C
InChIInChI=1S/C7H14F2S2/c1-5(2)6(11-10-3)4-7(8)9/h5-7H,4H2,1-3H3/t6-/m1/s1
InChIKeyXXSJYDMDILWARY-ZCFIWIBFSA-N
MW200.32 g/mol
LogP3.68
Rot. Bonds5

About (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane

(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane (PubChem CID 166005111) has the molecular formula C7H14F2S2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane.

Molecular Properties

Compound Name(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane
PubChem CID166005111
Molecular FormulaC7H14F2S2
Molecular Weight200.32 g/mol
Exact Mass200.05
IUPAC Name(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane
SMILESCSS[C@H](CC(F)F)C(C)C
InChIInChI=1S/C7H14F2S2/c1-5(2)6(11-10-3)4-7(8)9/h5-7H,4H2,1-3H3/t6-/m1/s1
InChIKeyXXSJYDMDILWARY-ZCFIWIBFSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane
CID 155048606
(2S)-1-isothiocyanato-3-methyl-2-(methyldisulfanyl)butane
CID 154619295
S-[(2S)-3-methyl-2-(methyldisulfanyl)butyl] ethanethioate
CID 154619334
(3R)-1,1-difluoro-4-methylpentan-3-amine
CID 58921752
1-fluoro-1-(methyldisulfanyl)propane
CID 167052607
6-[3,3-difluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 170145623
6-[(1R)-3,3-difluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 170145624
(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine
CID 174323846
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
3-methyl-2-methylsulfanylbutan-1-ol
CID 117035456
(2S)-2-(tert-butyldisulfanyl)-1-fluoro-3-methylbutane
CID 155048528
4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
CID 134163261

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane?
The IUPAC name of (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane (CID 166005111) is (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane.
What is the SMILES notation for (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane?
The canonical SMILES for (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane is CSS[C@H](CC(F)F)C(C)C.
What is the InChIKey of (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane?
The InChIKey is XXSJYDMDILWARY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14F2S2/c1-5(2)6(11-10-3)4-7(8)9/h5-7H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane?
(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane has a molecular weight of 200.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane is sourced from PubChem (CID 166005111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).