[fluoro(methylsulfanyl)methyl]cyclopropane

C5H9FS — CID 89207477

IUPAC[fluoro(methylsulfanyl)methyl]cyclopropane
SMILESCSC(F)C1CC1
InChIInChI=1S/C5H9FS/c1-7-5(6)4-2-3-4/h4-5H,2-3H2,1H3
InChIKeyJJJVQLLVKSPUAG-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.06
Rot. Bonds2

About [fluoro(methylsulfanyl)methyl]cyclopropane

[fluoro(methylsulfanyl)methyl]cyclopropane (PubChem CID 89207477) has the molecular formula C5H9FS and a molecular weight of 120.19 g/mol. Its IUPAC name is [fluoro(methylsulfanyl)methyl]cyclopropane.

Molecular Properties

Compound Name[fluoro(methylsulfanyl)methyl]cyclopropane
PubChem CID89207477
Molecular FormulaC5H9FS
Molecular Weight120.19 g/mol
Exact Mass120.04
IUPAC Name[fluoro(methylsulfanyl)methyl]cyclopropane
SMILESCSC(F)C1CC1
InChIInChI=1S/C5H9FS/c1-7-5(6)4-2-3-4/h4-5H,2-3H2,1H3
InChIKeyJJJVQLLVKSPUAG-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [fluoro(methylsulfanyl)methyl]cyclopropane?
The IUPAC name of [fluoro(methylsulfanyl)methyl]cyclopropane (CID 89207477) is [fluoro(methylsulfanyl)methyl]cyclopropane.
What is the SMILES notation for [fluoro(methylsulfanyl)methyl]cyclopropane?
The canonical SMILES for [fluoro(methylsulfanyl)methyl]cyclopropane is CSC(F)C1CC1.
What is the InChIKey of [fluoro(methylsulfanyl)methyl]cyclopropane?
The InChIKey is JJJVQLLVKSPUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FS/c1-7-5(6)4-2-3-4/h4-5H,2-3H2,1H3.
What are the key properties of [fluoro(methylsulfanyl)methyl]cyclopropane?
[fluoro(methylsulfanyl)methyl]cyclopropane has a molecular weight of 120.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(methylsulfanyl)methyl]cyclopropane is sourced from PubChem (CID 89207477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).