CID 101456345

C8F17S — CID 101456345

IUPAC—
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[S]
InChIInChI=1S/C8F17S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
InChIKeyBSCJJBHEGDRUSW-UHFFFAOYSA-N
MW451.12 g/mol
LogP6.15
Rot. Bonds6

About CID 101456345

CID 101456345 (PubChem CID 101456345) has the molecular formula C8F17S and a molecular weight of 451.12 g/mol.

Molecular Properties

Compound NameCID 101456345
PubChem CID101456345
Molecular FormulaC8F17S
Molecular Weight451.12 g/mol
Exact Mass450.94
IUPAC Name—
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[S]
InChIInChI=1S/C8F17S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
InChIKeyBSCJJBHEGDRUSW-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.12
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 101456345 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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-1-olate
CID 176897459
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium
CID 22348860
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane
CID 21095712
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-thiol
CID 141473432
(1,2,2,3,3,4,4,5,5,6,6,6-dodecafluoro-1-silylhexyl)silane
CID 173470739
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357

Frequently Asked Questions

What is the IUPAC name of CID 101456345?
The IUPAC name of CID 101456345 (CID 101456345) is not available.
What is the SMILES notation for CID 101456345?
The canonical SMILES for CID 101456345 is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[S].
What is the InChIKey of CID 101456345?
The InChIKey is BSCJJBHEGDRUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F17S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26.
What are the key properties of CID 101456345?
CID 101456345 has a molecular weight of 451.12 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101456345 is sourced from PubChem (CID 101456345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).