3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene

C11H17F5S — CID 155933230

IUPAC3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene
SMILESC=C(SC(F)(F)F)C(F)(F)CCCCCCC
InChIInChI=1S/C11H17F5S/c1-3-4-5-6-7-8-10(12,13)9(2)17-11(14,15)16/h2-8H2,1H3
InChIKeyNXKRFNDKDQVHAP-UHFFFAOYSA-N
MW276.31 g/mol
LogP5.75
Rot. Bonds8

About 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene

3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene (PubChem CID 155933230) has the molecular formula C11H17F5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene.

Molecular Properties

Compound Name3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene
PubChem CID155933230
Molecular FormulaC11H17F5S
Molecular Weight276.31 g/mol
Exact Mass276.10
IUPAC Name3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene
SMILESC=C(SC(F)(F)F)C(F)(F)CCCCCCC
InChIInChI=1S/C11H17F5S/c1-3-4-5-6-7-8-10(12,13)9(2)17-11(14,15)16/h2-8H2,1H3
InChIKeyNXKRFNDKDQVHAP-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.31
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene?
The IUPAC name of 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene (CID 155933230) is 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene.
What is the SMILES notation for 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene?
The canonical SMILES for 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene is C=C(SC(F)(F)F)C(F)(F)CCCCCCC.
What is the InChIKey of 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene?
The InChIKey is NXKRFNDKDQVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F5S/c1-3-4-5-6-7-8-10(12,13)9(2)17-11(14,15)16/h2-8H2,1H3.
What are the key properties of 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene?
3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene has a molecular weight of 276.31 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(trifluoromethylsulfanyl)dec-1-ene is sourced from PubChem (CID 155933230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).