fluoro-dimethyl-propan-2-yl-λ4-sulfane

C5H13FS — CID 146369406

IUPACfluoro-dimethyl-propan-2-yl-λ4-sulfane
SMILESCC(C)S(C)(C)F
InChIInChI=1S/C5H13FS/c1-5(2)7(3,4)6/h5H,1-4H3
InChIKeyCDYSKAKERXXZNK-UHFFFAOYSA-N
MW124.22 g/mol
LogP2.34
Rot. Bonds1

About fluoro-dimethyl-propan-2-yl-λ4-sulfane

fluoro-dimethyl-propan-2-yl-λ4-sulfane (PubChem CID 146369406) has the molecular formula C5H13FS and a molecular weight of 124.22 g/mol. Its IUPAC name is fluoro-dimethyl-propan-2-yl-λ4-sulfane.

Molecular Properties

Compound Namefluoro-dimethyl-propan-2-yl-λ4-sulfane
PubChem CID146369406
Molecular FormulaC5H13FS
Molecular Weight124.22 g/mol
Exact Mass124.07
IUPAC Namefluoro-dimethyl-propan-2-yl-λ4-sulfane
SMILESCC(C)S(C)(C)F
InChIInChI=1S/C5H13FS/c1-5(2)7(3,4)6/h5H,1-4H3
InChIKeyCDYSKAKERXXZNK-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Isopropyl Methyl Sulfide
CID 15246
n-Butyl sulfonium fluoride
CID 118977569
Triethyl(fluoro)-lambda4-sulfane
CID 141479228
2-Fluoro-3-methylsulfanylbutane
CID 13461361
Difluoro(dipropyl)-lambda4-sulfane
CID 134994849
1-Fluoro-4-methylsulfanylbutane
CID 13897869
1-Fluoro-3-methylsulfanylpropane
CID 53666964
1-(Fluoromethylsulfanyl)propane
CID 54299966
1-Fluoro-2-methylsulfanylpropane
CID 87129560
2-Ethylsulfanyl-1-fluoropropane
CID 87129563
2-(Fluoromethylsulfanyl)propane
CID 90728756
1-(Fluoromethylsulfanyl)butane
CID 122581356

Frequently Asked Questions

What is the IUPAC name of fluoro-dimethyl-propan-2-yl-λ4-sulfane?
The IUPAC name of fluoro-dimethyl-propan-2-yl-λ4-sulfane (CID 146369406) is fluoro-dimethyl-propan-2-yl-λ4-sulfane.
What is the SMILES notation for fluoro-dimethyl-propan-2-yl-λ4-sulfane?
The canonical SMILES for fluoro-dimethyl-propan-2-yl-λ4-sulfane is CC(C)S(C)(C)F.
What is the InChIKey of fluoro-dimethyl-propan-2-yl-λ4-sulfane?
The InChIKey is CDYSKAKERXXZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FS/c1-5(2)7(3,4)6/h5H,1-4H3.
What are the key properties of fluoro-dimethyl-propan-2-yl-λ4-sulfane?
fluoro-dimethyl-propan-2-yl-λ4-sulfane has a molecular weight of 124.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-dimethyl-propan-2-yl-λ4-sulfane is sourced from PubChem (CID 146369406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).