1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane

C6H10F2OS — CID 123610559

IUPAC1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane
SMILESFC1(F)CCC(COS)C1
InChIInChI=1S/C6H10F2OS/c7-6(8)2-1-5(3-6)4-9-10/h5,10H,1-4H2
InChIKeyKCBWGQQHLQIWFE-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.28
Rot. Bonds2

About 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane

1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane (PubChem CID 123610559) has the molecular formula C6H10F2OS and a molecular weight of 168.21 g/mol. Its IUPAC name is 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane.

Molecular Properties

Compound Name1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane
PubChem CID123610559
Molecular FormulaC6H10F2OS
Molecular Weight168.21 g/mol
Exact Mass168.04
IUPAC Name1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane
SMILESFC1(F)CCC(COS)C1
InChIInChI=1S/C6H10F2OS/c7-6(8)2-1-5(3-6)4-9-10/h5,10H,1-4H2
InChIKeyKCBWGQQHLQIWFE-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane?
The IUPAC name of 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane (CID 123610559) is 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane.
What is the SMILES notation for 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane?
The canonical SMILES for 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane is FC1(F)CCC(COS)C1.
What is the InChIKey of 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane?
The InChIKey is KCBWGQQHLQIWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2OS/c7-6(8)2-1-5(3-6)4-9-10/h5,10H,1-4H2.
What are the key properties of 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane?
1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane has a molecular weight of 168.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(sulfanyloxymethyl)cyclopentane is sourced from PubChem (CID 123610559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).