(2,2-difluorocyclopropyl)methyl-oxosulfanium

C4H5F2OS+ — CID 162540533

IUPAC(2,2-difluorocyclopropyl)methyl-oxosulfanium
SMILESO=[S+]CC1CC1(F)F
InChIInChI=1S/C4H5F2OS/c5-4(6)1-3(4)2-8-7/h3H,1-2H2/q+1
InChIKeyBHWQFKVKBGCUNP-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.07
Rot. Bonds2

About (2,2-difluorocyclopropyl)methyl-oxosulfanium

(2,2-difluorocyclopropyl)methyl-oxosulfanium (PubChem CID 162540533) has the molecular formula C4H5F2OS+ and a molecular weight of 139.15 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)methyl-oxosulfanium.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)methyl-oxosulfanium
PubChem CID162540533
Molecular FormulaC4H5F2OS+
Molecular Weight139.15 g/mol
Exact Mass139.00
IUPAC Name(2,2-difluorocyclopropyl)methyl-oxosulfanium
SMILESO=[S+]CC1CC1(F)F
InChIInChI=1S/C4H5F2OS/c5-4(6)1-3(4)2-8-7/h3H,1-2H2/q+1
InChIKeyBHWQFKVKBGCUNP-UHFFFAOYSA-N
XLogP1.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)methyl-oxosulfanium?
The IUPAC name of (2,2-difluorocyclopropyl)methyl-oxosulfanium (CID 162540533) is (2,2-difluorocyclopropyl)methyl-oxosulfanium.
What is the SMILES notation for (2,2-difluorocyclopropyl)methyl-oxosulfanium?
The canonical SMILES for (2,2-difluorocyclopropyl)methyl-oxosulfanium is O=[S+]CC1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)methyl-oxosulfanium?
The InChIKey is BHWQFKVKBGCUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2OS/c5-4(6)1-3(4)2-8-7/h3H,1-2H2/q+1.
What are the key properties of (2,2-difluorocyclopropyl)methyl-oxosulfanium?
(2,2-difluorocyclopropyl)methyl-oxosulfanium has a molecular weight of 139.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)methyl-oxosulfanium is sourced from PubChem (CID 162540533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).