5,5,5-trifluoropent-1-en-3-ol

C5H7F3O — CID 87788089

IUPAC5,5,5-trifluoropent-1-en-3-ol
SMILESC=CC(O)CC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-4(9)3-5(6,7)8/h2,4,9H,1,3H2
InChIKeyRTGMUMJPESJQLV-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.49
Rot. Bonds2

About 5,5,5-trifluoropent-1-en-3-ol

5,5,5-trifluoropent-1-en-3-ol (PubChem CID 87788089) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 5,5,5-trifluoropent-1-en-3-ol.

Molecular Properties

Compound Name5,5,5-trifluoropent-1-en-3-ol
PubChem CID87788089
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name5,5,5-trifluoropent-1-en-3-ol
SMILESC=CC(O)CC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-4(9)3-5(6,7)8/h2,4,9H,1,3H2
InChIKeyRTGMUMJPESJQLV-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.49
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 5,5,5-trifluoropent-1-en-3-ol?
The IUPAC name of 5,5,5-trifluoropent-1-en-3-ol (CID 87788089) is 5,5,5-trifluoropent-1-en-3-ol.
What is the SMILES notation for 5,5,5-trifluoropent-1-en-3-ol?
The canonical SMILES for 5,5,5-trifluoropent-1-en-3-ol is C=CC(O)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropent-1-en-3-ol?
The InChIKey is RTGMUMJPESJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-2-4(9)3-5(6,7)8/h2,4,9H,1,3H2.
What are the key properties of 5,5,5-trifluoropent-1-en-3-ol?
5,5,5-trifluoropent-1-en-3-ol has a molecular weight of 140.10 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropent-1-en-3-ol is sourced from PubChem (CID 87788089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).