pentafluoro(propan-2-yl)-λ6-sulfane

C3H7F5S — CID 137444098

IUPACpentafluoro(propan-2-yl)-λ6-sulfane
SMILESCC(C)S(F)(F)(F)(F)F
InChIInChI=1S/C3H7F5S/c1-3(2)9(4,5,6,7)8/h3H,1-2H3
InChIKeyHZZXIRQHVKRPCN-UHFFFAOYSA-N
MW170.15 g/mol
LogP3.69
Rot. Bonds1

About pentafluoro(propan-2-yl)-λ6-sulfane

pentafluoro(propan-2-yl)-λ6-sulfane (PubChem CID 137444098) has the molecular formula C3H7F5S and a molecular weight of 170.15 g/mol. Its IUPAC name is pentafluoro(propan-2-yl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(propan-2-yl)-λ6-sulfane
PubChem CID137444098
Molecular FormulaC3H7F5S
Molecular Weight170.15 g/mol
Exact Mass170.02
IUPAC Namepentafluoro(propan-2-yl)-λ6-sulfane
SMILESCC(C)S(F)(F)(F)(F)F
InChIInChI=1S/C3H7F5S/c1-3(2)9(4,5,6,7)8/h3H,1-2H3
InChIKeyHZZXIRQHVKRPCN-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentafluoro(propan-2-yl)-λ6-sulfane with MolForge

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

Launch Full Analysis

Related Compounds

pentamethyl(propan-2-yl)-λ6-sulfane
CID 123663772
hydrogen peroxide;tris(propan-2-ol);vanadium
CID 175478345
chloroform;propan-2-ol
CID 173195035
propan-2-ol;vanadium;hydrate;dihydrochloride
CID 171375749
1,1-difluoroethane
CID 6368
chloro(trimethyl)phosphanium
CID 15830224
1,2-dichloroethyl(pentafluoro)-λ6-sulfane
CID 163836312
CID 131857540
CID 131857540
propan-2-ol;titanium
CID 25200171
magnesium;2-chloropropane;dichloride
CID 158508799
lutetium;propan-2-ol
CID 174898431
erbium;propan-2-ol
CID 160843836

Frequently Asked Questions

What is the IUPAC name of pentafluoro(propan-2-yl)-λ6-sulfane?
The IUPAC name of pentafluoro(propan-2-yl)-λ6-sulfane (CID 137444098) is pentafluoro(propan-2-yl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(propan-2-yl)-λ6-sulfane?
The canonical SMILES for pentafluoro(propan-2-yl)-λ6-sulfane is CC(C)S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro(propan-2-yl)-λ6-sulfane?
The InChIKey is HZZXIRQHVKRPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F5S/c1-3(2)9(4,5,6,7)8/h3H,1-2H3.
What are the key properties of pentafluoro(propan-2-yl)-λ6-sulfane?
pentafluoro(propan-2-yl)-λ6-sulfane has a molecular weight of 170.15 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(propan-2-yl)-λ6-sulfane is sourced from PubChem (CID 137444098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).