dehydroxy-demethylene-TFHFESE

C6H3F10OS — CID 163201607

IUPAC—
SMILES[CH2]SC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F10OS/c1-18-3(8,9)2(7)17-6(15,16)4(10,11)5(12,13)14/h2H,1H2
InChIKeySQCDMAHMWJWARM-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.21
Rot. Bonds5

About dehydroxy-demethylene-TFHFESE

dehydroxy-demethylene-TFHFESE (PubChem CID 163201607) has the molecular formula C6H3F10OS and a molecular weight of 313.14 g/mol.

Molecular Properties

Compound Namedehydroxy-demethylene-TFHFESE
PubChem CID163201607
Molecular FormulaC6H3F10OS
Molecular Weight313.14 g/mol
Exact Mass312.97
IUPAC Name—
SMILES[CH2]SC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F10OS/c1-18-3(8,9)2(7)17-6(15,16)4(10,11)5(12,13)14/h2H,1H2
InChIKeySQCDMAHMWJWARM-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.21
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-demethylene-TFHFESE?
The IUPAC name of dehydroxy-demethylene-TFHFESE (CID 163201607) is not available.
What is the SMILES notation for dehydroxy-demethylene-TFHFESE?
The canonical SMILES for dehydroxy-demethylene-TFHFESE is [CH2]SC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dehydroxy-demethylene-TFHFESE?
The InChIKey is SQCDMAHMWJWARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10OS/c1-18-3(8,9)2(7)17-6(15,16)4(10,11)5(12,13)14/h2H,1H2.
What are the key properties of dehydroxy-demethylene-TFHFESE?
dehydroxy-demethylene-TFHFESE has a molecular weight of 313.14 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dehydroxy-demethylene-TFHFESE is sourced from PubChem (CID 163201607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).