1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol

C9H9F3O2 — CID 162772868

IUPAC1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol
SMILESC=CCC(O)(c1ccco1)C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-2-5-8(13,9(10,11)12)7-4-3-6-14-7/h2-4,6,13H,1,5H2
InChIKeyALDAMEMSEHGZBT-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.61
Rot. Bonds3

About 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol

1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol (PubChem CID 162772868) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol
PubChem CID162772868
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol
SMILESC=CCC(O)(c1ccco1)C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-2-5-8(13,9(10,11)12)7-4-3-6-14-7/h2-4,6,13H,1,5H2
InChIKeyALDAMEMSEHGZBT-UHFFFAOYSA-N
XLogP2.61
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.61
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 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol (CID 162772868) is 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol is C=CCC(O)(c1ccco1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol?
The InChIKey is ALDAMEMSEHGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-2-5-8(13,9(10,11)12)7-4-3-6-14-7/h2-4,6,13H,1,5H2.
What are the key properties of 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol?
1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol has a molecular weight of 206.16 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol is sourced from PubChem (CID 162772868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).