2,2-difluorospiro[2.3]hexane-5-thiol

C6H8F2S — CID 167302042

IUPAC2,2-difluorospiro[2.3]hexane-5-thiol
SMILESFC1(F)CC12CC(S)C2
InChIInChI=1S/C6H8F2S/c7-6(8)3-5(6)1-4(9)2-5/h4,9H,1-3H2
InChIKeyFYRCOGGSRORGRD-UHFFFAOYSA-N
MW150.19 g/mol
LogP2.10
Rot. Bonds

About 2,2-difluorospiro[2.3]hexane-5-thiol

2,2-difluorospiro[2.3]hexane-5-thiol (PubChem CID 167302042) has the molecular formula C6H8F2S and a molecular weight of 150.19 g/mol. Its IUPAC name is 2,2-difluorospiro[2.3]hexane-5-thiol.

Molecular Properties

Compound Name2,2-difluorospiro[2.3]hexane-5-thiol
PubChem CID167302042
Molecular FormulaC6H8F2S
Molecular Weight150.19 g/mol
Exact Mass150.03
IUPAC Name2,2-difluorospiro[2.3]hexane-5-thiol
SMILESFC1(F)CC12CC(S)C2
InChIInChI=1S/C6H8F2S/c7-6(8)3-5(6)1-4(9)2-5/h4,9H,1-3H2
InChIKeyFYRCOGGSRORGRD-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[2.3]hexane-5-thiol?
The IUPAC name of 2,2-difluorospiro[2.3]hexane-5-thiol (CID 167302042) is 2,2-difluorospiro[2.3]hexane-5-thiol.
What is the SMILES notation for 2,2-difluorospiro[2.3]hexane-5-thiol?
The canonical SMILES for 2,2-difluorospiro[2.3]hexane-5-thiol is FC1(F)CC12CC(S)C2.
What is the InChIKey of 2,2-difluorospiro[2.3]hexane-5-thiol?
The InChIKey is FYRCOGGSRORGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2S/c7-6(8)3-5(6)1-4(9)2-5/h4,9H,1-3H2.
What are the key properties of 2,2-difluorospiro[2.3]hexane-5-thiol?
2,2-difluorospiro[2.3]hexane-5-thiol has a molecular weight of 150.19 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[2.3]hexane-5-thiol is sourced from PubChem (CID 167302042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).