(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol

C4H3F5O — CID 90476807

IUPAC(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol
SMILESO/C(=C(/F)C(F)F)C(F)F
InChIInChI=1S/C4H3F5O/c5-1(3(6)7)2(10)4(8)9/h3-4,10H/b2-1+
InChIKeyNSVLCBLSLHTSLD-OWOJBTEDSA-N
MW162.06 g/mol
LogP2.26
Rot. Bonds2

About (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol

(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol (PubChem CID 90476807) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol
PubChem CID90476807
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol
SMILESO/C(=C(/F)C(F)F)C(F)F
InChIInChI=1S/C4H3F5O/c5-1(3(6)7)2(10)4(8)9/h3-4,10H/b2-1+
InChIKeyNSVLCBLSLHTSLD-OWOJBTEDSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol?
The IUPAC name of (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol (CID 90476807) is (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol.
What is the SMILES notation for (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol?
The canonical SMILES for (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol is O/C(=C(/F)C(F)F)C(F)F.
What is the InChIKey of (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol?
The InChIKey is NSVLCBLSLHTSLD-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H3F5O/c5-1(3(6)7)2(10)4(8)9/h3-4,10H/b2-1+.
What are the key properties of (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol?
(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol has a molecular weight of 162.06 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,3,4,4-pentafluorobut-2-en-2-ol is sourced from PubChem (CID 90476807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).