2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol

C6H6F6O — CID 87971644

IUPAC2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol
SMILESC=CC(F)C(O)(C(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-2-3(7)5(13,4(8)9)6(10,11)12/h2-4,13H,1H2
InChIKeyPJZXZYZCIUBWLL-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.07
Rot. Bonds3

About 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol

2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol (PubChem CID 87971644) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol
PubChem CID87971644
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol
SMILESC=CC(F)C(O)(C(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-2-3(7)5(13,4(8)9)6(10,11)12/h2-4,13H,1H2
InChIKeyPJZXZYZCIUBWLL-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.07
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-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol?
The IUPAC name of 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol (CID 87971644) is 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol is C=CC(F)C(O)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol?
The InChIKey is PJZXZYZCIUBWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-2-3(7)5(13,4(8)9)6(10,11)12/h2-4,13H,1H2.
What are the key properties of 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol?
2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol has a molecular weight of 208.10 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol is sourced from PubChem (CID 87971644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).