1,1,2,3,3,3-hexafluoropropane-1-thiol

C3H2F6S — CID 22076203

IUPAC1,1,2,3,3,3-hexafluoropropane-1-thiol
SMILESFC(C(F)(F)F)C(F)(F)S
InChIInChI=1S/C3H2F6S/c4-1(2(5,6)7)3(8,9)10/h1,10H
InChIKeyMNQYBRORYBBGKH-UHFFFAOYSA-N
MW184.10 g/mol
LogP2.41
Rot. Bonds1

About 1,1,2,3,3,3-hexafluoropropane-1-thiol

1,1,2,3,3,3-hexafluoropropane-1-thiol (PubChem CID 22076203) has the molecular formula C3H2F6S and a molecular weight of 184.10 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoropropane-1-thiol.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoropropane-1-thiol
PubChem CID22076203
Molecular FormulaC3H2F6S
Molecular Weight184.10 g/mol
Exact Mass183.98
IUPAC Name1,1,2,3,3,3-hexafluoropropane-1-thiol
SMILESFC(C(F)(F)F)C(F)(F)S
InChIInChI=1S/C3H2F6S/c4-1(2(5,6)7)3(8,9)10/h1,10H
InChIKeyMNQYBRORYBBGKH-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 52.41
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 1,1,2,3,3,3-hexafluoropropane-1-thiol?
The IUPAC name of 1,1,2,3,3,3-hexafluoropropane-1-thiol (CID 22076203) is 1,1,2,3,3,3-hexafluoropropane-1-thiol.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoropropane-1-thiol?
The canonical SMILES for 1,1,2,3,3,3-hexafluoropropane-1-thiol is FC(C(F)(F)F)C(F)(F)S.
What is the InChIKey of 1,1,2,3,3,3-hexafluoropropane-1-thiol?
The InChIKey is MNQYBRORYBBGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6S/c4-1(2(5,6)7)3(8,9)10/h1,10H.
What are the key properties of 1,1,2,3,3,3-hexafluoropropane-1-thiol?
1,1,2,3,3,3-hexafluoropropane-1-thiol has a molecular weight of 184.10 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoropropane-1-thiol is sourced from PubChem (CID 22076203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).