2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol

C8H11F3O2 — CID 150663323

IUPAC2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol
SMILESCC=CC(C)(O)C1OC(F)C1(F)F
InChIInChI=1S/C8H11F3O2/c1-3-4-7(2,12)5-8(10,11)6(9)13-5/h3-6,12H,1-2H3
InChIKeyJEIKRCHKCHHQLM-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.64
Rot. Bonds2

About 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol

2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol (PubChem CID 150663323) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol
PubChem CID150663323
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol
SMILESCC=CC(C)(O)C1OC(F)C1(F)F
InChIInChI=1S/C8H11F3O2/c1-3-4-7(2,12)5-8(10,11)6(9)13-5/h3-6,12H,1-2H3
InChIKeyJEIKRCHKCHHQLM-UHFFFAOYSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol?
The IUPAC name of 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol (CID 150663323) is 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol.
What is the SMILES notation for 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol?
The canonical SMILES for 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol is CC=CC(C)(O)C1OC(F)C1(F)F.
What is the InChIKey of 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol?
The InChIKey is JEIKRCHKCHHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-3-4-7(2,12)5-8(10,11)6(9)13-5/h3-6,12H,1-2H3.
What are the key properties of 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol?
2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol has a molecular weight of 196.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol is sourced from PubChem (CID 150663323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).