2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

C8H8F6O — CID 20760660

IUPAC2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(C(F)(F)F)C(F)(F)C(=C)F
InChIInChI=1S/C8H8F6O/c1-3-4-6(15,8(12,13)14)7(10,11)5(2)9/h3,15H,1-2,4H2
InChIKeyVTXHQRJEDZFCHF-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.97
Rot. Bonds4

About 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 20760660) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID20760660
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(C(F)(F)F)C(F)(F)C(=C)F
InChIInChI=1S/C8H8F6O/c1-3-4-6(15,8(12,13)14)7(10,11)5(2)9/h3,15H,1-2,4H2
InChIKeyVTXHQRJEDZFCHF-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.97
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 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 20760660) is 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is C=CCC(O)(C(F)(F)F)C(F)(F)C(=C)F.
What is the InChIKey of 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is VTXHQRJEDZFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O/c1-3-4-6(15,8(12,13)14)7(10,11)5(2)9/h3,15H,1-2,4H2.
What are the key properties of 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol has a molecular weight of 234.14 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 20760660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).