(3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane

C7H15FS2 — CID 155048606

IUPAC(3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane
SMILESCSS[C@H](CCF)C(C)C
InChIInChI=1S/C7H15FS2/c1-6(2)7(4-5-8)10-9-3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyCODNGMVNOXWRRO-SSDOTTSWSA-N
MW182.33 g/mol
LogP3.38
Rot. Bonds5

About (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane

(3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane (PubChem CID 155048606) has the molecular formula C7H15FS2 and a molecular weight of 182.33 g/mol. Its IUPAC name is (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane.

Molecular Properties

Compound Name(3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane
PubChem CID155048606
Molecular FormulaC7H15FS2
Molecular Weight182.33 g/mol
Exact Mass182.06
IUPAC Name(3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane
SMILESCSS[C@H](CCF)C(C)C
InChIInChI=1S/C7H15FS2/c1-6(2)7(4-5-8)10-9-3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyCODNGMVNOXWRRO-SSDOTTSWSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane
CID 166005107
(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane
CID 166005111
(2S)-1-isothiocyanato-3-methyl-2-(methyldisulfanyl)butane
CID 154619295
(2S)-2-(tert-butyldisulfanyl)-1-fluoro-3-methylbutane
CID 155048528
6-[(1S)-3-fluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 155048515
isothiocyanatomethyl [(2R)-3-methyl-2-(methyldisulfanyl)butyl] carbonate
CID 154619249
(2S)-4-fluorobutan-2-amine;hydrochloride
CID 155904889
2-(methyldisulfanyl)hexane
CID 118070757
[(2R)-3-methyl-2-(methyldisulfanyl)butyl] N-[(2S)-1-[[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 168894714
1,6-difluoro-3-methylhexane
CID 146258834
3-methyl-2-methylsulfanylbutan-1-ol
CID 117035456
carbonic acid;1,3-difluorobutane
CID 87178365

Frequently Asked Questions

What is the IUPAC name of (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane?
The IUPAC name of (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane (CID 155048606) is (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane.
What is the SMILES notation for (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane?
The canonical SMILES for (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane is CSS[C@H](CCF)C(C)C.
What is the InChIKey of (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane?
The InChIKey is CODNGMVNOXWRRO-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15FS2/c1-6(2)7(4-5-8)10-9-3/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane?
(3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane has a molecular weight of 182.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane is sourced from PubChem (CID 155048606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).