1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol

C6H10Cl2F4S — CID 137365473

IUPAC1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol
SMILESCCCS.FC(F)C(F)(Cl)C(F)Cl
InChIInChI=1S/C3H2Cl2F4.C3H8S/c4-1(6)3(5,9)2(7)8;1-2-3-4/h1-2H;4H,2-3H2,1H3
InChIKeyWNPZXFWOFFIBRC-UHFFFAOYSA-N
MW261.11 g/mol
LogP4.02
Rot. Bonds3

About 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol

1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol (PubChem CID 137365473) has the molecular formula C6H10Cl2F4S and a molecular weight of 261.11 g/mol. Its IUPAC name is 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol.

Molecular Properties

Compound Name1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol
PubChem CID137365473
Molecular FormulaC6H10Cl2F4S
Molecular Weight261.11 g/mol
Exact Mass259.98
IUPAC Name1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol
SMILESCCCS.FC(F)C(F)(Cl)C(F)Cl
InChIInChI=1S/C3H2Cl2F4.C3H8S/c4-1(6)3(5,9)2(7)8;1-2-3-4/h1-2H;4H,2-3H2,1H3
InChIKeyWNPZXFWOFFIBRC-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol?
The IUPAC name of 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol (CID 137365473) is 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol.
What is the SMILES notation for 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol?
The canonical SMILES for 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol is CCCS.FC(F)C(F)(Cl)C(F)Cl.
What is the InChIKey of 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol?
The InChIKey is WNPZXFWOFFIBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2F4.C3H8S/c4-1(6)3(5,9)2(7)8;1-2-3-4/h1-2H;4H,2-3H2,1H3.
What are the key properties of 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol?
1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol has a molecular weight of 261.11 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol is sourced from PubChem (CID 137365473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).