(E)-2,2-difluoropent-3-en-1-ol

C5H8F2O — CID 71651631

IUPAC(E)-2,2-difluoropent-3-en-1-ol
SMILESC/C=C/C(F)(F)CO
InChIInChI=1S/C5H8F2O/c1-2-3-5(6,7)4-8/h2-3,8H,4H2,1H3/b3-2+
InChIKeyCMQUVKHYMDGFSF-NSCUHMNNSA-N
MW122.11 g/mol
LogP1.19
Rot. Bonds2

About (E)-2,2-difluoropent-3-en-1-ol

(E)-2,2-difluoropent-3-en-1-ol (PubChem CID 71651631) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is (E)-2,2-difluoropent-3-en-1-ol.

Molecular Properties

Compound Name(E)-2,2-difluoropent-3-en-1-ol
PubChem CID71651631
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name(E)-2,2-difluoropent-3-en-1-ol
SMILESC/C=C/C(F)(F)CO
InChIInChI=1S/C5H8F2O/c1-2-3-5(6,7)4-8/h2-3,8H,4H2,1H3/b3-2+
InChIKeyCMQUVKHYMDGFSF-NSCUHMNNSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.19
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 (E)-2,2-difluoropent-3-en-1-ol?
The IUPAC name of (E)-2,2-difluoropent-3-en-1-ol (CID 71651631) is (E)-2,2-difluoropent-3-en-1-ol.
What is the SMILES notation for (E)-2,2-difluoropent-3-en-1-ol?
The canonical SMILES for (E)-2,2-difluoropent-3-en-1-ol is C/C=C/C(F)(F)CO.
What is the InChIKey of (E)-2,2-difluoropent-3-en-1-ol?
The InChIKey is CMQUVKHYMDGFSF-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8F2O/c1-2-3-5(6,7)4-8/h2-3,8H,4H2,1H3/b3-2+.
What are the key properties of (E)-2,2-difluoropent-3-en-1-ol?
(E)-2,2-difluoropent-3-en-1-ol has a molecular weight of 122.11 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoropent-3-en-1-ol is sourced from PubChem (CID 71651631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).