1,1,2,3,3-pentafluoropropane-1-thiol

C3H3F5S — CID 175432387

IUPAC1,1,2,3,3-pentafluoropropane-1-thiol
SMILESFC(F)C(F)C(F)(F)S
InChIInChI=1S/C3H3F5S/c4-1(2(5)6)3(7,8)9/h1-2,9H
InChIKeyGQJIPOBODIOSOW-UHFFFAOYSA-N
MW166.11 g/mol
LogP2.11
Rot. Bonds2

About 1,1,2,3,3-pentafluoropropane-1-thiol

1,1,2,3,3-pentafluoropropane-1-thiol (PubChem CID 175432387) has the molecular formula C3H3F5S and a molecular weight of 166.11 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoropropane-1-thiol.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoropropane-1-thiol
PubChem CID175432387
Molecular FormulaC3H3F5S
Molecular Weight166.11 g/mol
Exact Mass165.99
IUPAC Name1,1,2,3,3-pentafluoropropane-1-thiol
SMILESFC(F)C(F)C(F)(F)S
InChIInChI=1S/C3H3F5S/c4-1(2(5)6)3(7,8)9/h1-2,9H
InChIKeyGQJIPOBODIOSOW-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 52.11
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-pentafluoropropane-1-thiol?
The IUPAC name of 1,1,2,3,3-pentafluoropropane-1-thiol (CID 175432387) is 1,1,2,3,3-pentafluoropropane-1-thiol.
What is the SMILES notation for 1,1,2,3,3-pentafluoropropane-1-thiol?
The canonical SMILES for 1,1,2,3,3-pentafluoropropane-1-thiol is FC(F)C(F)C(F)(F)S.
What is the InChIKey of 1,1,2,3,3-pentafluoropropane-1-thiol?
The InChIKey is GQJIPOBODIOSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5S/c4-1(2(5)6)3(7,8)9/h1-2,9H.
What are the key properties of 1,1,2,3,3-pentafluoropropane-1-thiol?
1,1,2,3,3-pentafluoropropane-1-thiol has a molecular weight of 166.11 g/mol, XLogP of 2.11, 2 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-pentafluoropropane-1-thiol is sourced from PubChem (CID 175432387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).