(3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane

C9H19FS2 — CID 166005107

IUPAC(3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane
SMILESCC(C)SS[C@H](CCF)C(C)C
InChIInChI=1S/C9H19FS2/c1-7(2)9(5-6-10)12-11-8(3)4/h7-9H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyUGHDSXQBIHJSBQ-SECBINFHSA-N
MW210.38 g/mol
LogP4.16
Rot. Bonds6

About (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane

(3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane (PubChem CID 166005107) has the molecular formula C9H19FS2 and a molecular weight of 210.38 g/mol. Its IUPAC name is (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane.

Molecular Properties

Compound Name(3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane
PubChem CID166005107
Molecular FormulaC9H19FS2
Molecular Weight210.38 g/mol
Exact Mass210.09
IUPAC Name(3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane
SMILESCC(C)SS[C@H](CCF)C(C)C
InChIInChI=1S/C9H19FS2/c1-7(2)9(5-6-10)12-11-8(3)4/h7-9H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyUGHDSXQBIHJSBQ-SECBINFHSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.38
LogP ≤ 54.16
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
6-[(1S)-3-fluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 155048515
(2S)-2-(tert-butyldisulfanyl)-1-fluoro-3-methylbutane
CID 155048528
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
7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane
CID 166997699
2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane
CID 139420724
6-[(1S)-2-chloro-1-(propan-2-yldisulfanyl)ethyl]undecane
CID 155048678
(2S)-4-fluorobutan-2-amine;hydrochloride
CID 155904889
1,6-difluoro-3-methylhexane
CID 146258834
(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane
CID 166005111
1,1,1-trifluoro-2-(propan-2-yldisulfanyl)butane
CID 155242902

Frequently Asked Questions

What is the IUPAC name of (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane?
The IUPAC name of (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane (CID 166005107) is (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane.
What is the SMILES notation for (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane?
The canonical SMILES for (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane is CC(C)SS[C@H](CCF)C(C)C.
What is the InChIKey of (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane?
The InChIKey is UGHDSXQBIHJSBQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H19FS2/c1-7(2)9(5-6-10)12-11-8(3)4/h7-9H,5-6H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane?
(3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane has a molecular weight of 210.38 g/mol, XLogP of 4.16, 6 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-(propan-2-yldisulfanyl)pentane is sourced from PubChem (CID 166005107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).