dehydroxy-TFHFESE

C7H5F10OS — CID 163201608

IUPAC—
SMILES[CH2]CSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F10OS/c1-2-19-4(9,10)3(8)18-7(16,17)5(11,12)6(13,14)15/h3H,1-2H2
InChIKeyPUJWVXUDMXVDKW-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.25
Rot. Bonds6

About dehydroxy-TFHFESE

dehydroxy-TFHFESE (PubChem CID 163201608) has the molecular formula C7H5F10OS and a molecular weight of 327.16 g/mol.

Molecular Properties

Compound Namedehydroxy-TFHFESE
PubChem CID163201608
Molecular FormulaC7H5F10OS
Molecular Weight327.16 g/mol
Exact Mass326.99
IUPAC Name—
SMILES[CH2]CSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F10OS/c1-2-19-4(9,10)3(8)18-7(16,17)5(11,12)6(13,14)15/h3H,1-2H2
InChIKeyPUJWVXUDMXVDKW-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dehydroxy-TFHFESE?
The IUPAC name of dehydroxy-TFHFESE (CID 163201608) is not available.
What is the SMILES notation for dehydroxy-TFHFESE?
The canonical SMILES for dehydroxy-TFHFESE is [CH2]CSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dehydroxy-TFHFESE?
The InChIKey is PUJWVXUDMXVDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F10OS/c1-2-19-4(9,10)3(8)18-7(16,17)5(11,12)6(13,14)15/h3H,1-2H2.
What are the key properties of dehydroxy-TFHFESE?
dehydroxy-TFHFESE has a molecular weight of 327.16 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dehydroxy-TFHFESE is sourced from PubChem (CID 163201608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).