4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol

C10H11F7O — CID 20760656

IUPAC4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol
SMILESC=CC(CC(=C)F)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F7O/c1-3-7(4-6(2)11)5-8(18,9(12,13)14)10(15,16)17/h3,7,18H,1-2,4-5H2
InChIKeyJMGCIODMLUSFNI-UHFFFAOYSA-N
MW280.18 g/mol
LogP3.91
Rot. Bonds5

About 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol

4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol (PubChem CID 20760656) has the molecular formula C10H11F7O and a molecular weight of 280.18 g/mol. Its IUPAC name is 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol.

Molecular Properties

Compound Name4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol
PubChem CID20760656
Molecular FormulaC10H11F7O
Molecular Weight280.18 g/mol
Exact Mass280.07
IUPAC Name4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol
SMILESC=CC(CC(=C)F)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F7O/c1-3-7(4-6(2)11)5-8(18,9(12,13)14)10(15,16)17/h3,7,18H,1-2,4-5H2
InChIKeyJMGCIODMLUSFNI-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The IUPAC name of 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol (CID 20760656) is 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol.
What is the SMILES notation for 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The canonical SMILES for 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol is C=CC(CC(=C)F)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The InChIKey is JMGCIODMLUSFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O/c1-3-7(4-6(2)11)5-8(18,9(12,13)14)10(15,16)17/h3,7,18H,1-2,4-5H2.
What are the key properties of 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol has a molecular weight of 280.18 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,1,1,6-tetrafluoro-2-(trifluoromethyl)hept-6-en-2-ol is sourced from PubChem (CID 20760656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).