6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol

C7H7F5O — CID 58734904

IUPAC6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol
SMILESOCCC=CC(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H7F5O/c8-6(9)5(7(10,11)12)3-1-2-4-13/h1,3,13H,2,4H2
InChIKeyQDDWEQDLGJUOIM-UHFFFAOYSA-N
MW202.12 g/mol
LogP2.64
Rot. Bonds3

About 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol

6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol (PubChem CID 58734904) has the molecular formula C7H7F5O and a molecular weight of 202.12 g/mol. Its IUPAC name is 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol
PubChem CID58734904
Molecular FormulaC7H7F5O
Molecular Weight202.12 g/mol
Exact Mass202.04
IUPAC Name6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol
SMILESOCCC=CC(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H7F5O/c8-6(9)5(7(10,11)12)3-1-2-4-13/h1,3,13H,2,4H2
InChIKeyQDDWEQDLGJUOIM-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol?
The IUPAC name of 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol (CID 58734904) is 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol.
What is the SMILES notation for 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol?
The canonical SMILES for 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol is OCCC=CC(=C(F)F)C(F)(F)F.
What is the InChIKey of 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol?
The InChIKey is QDDWEQDLGJUOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5O/c8-6(9)5(7(10,11)12)3-1-2-4-13/h1,3,13H,2,4H2.
What are the key properties of 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol?
6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol has a molecular weight of 202.12 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol is sourced from PubChem (CID 58734904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).