4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol

C10H15F3O2 — CID 151809090

IUPAC4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol
SMILESCC(C)=CC(O)CC1CC(C(F)(F)F)O1
InChIInChI=1S/C10H15F3O2/c1-6(2)3-7(14)4-8-5-9(15-8)10(11,12)13/h3,7-9,14H,4-5H2,1-2H3
InChIKeySAFOTBYXCNQAHE-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.42
Rot. Bonds3

About 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol

4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol (PubChem CID 151809090) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol
PubChem CID151809090
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol
SMILESCC(C)=CC(O)CC1CC(C(F)(F)F)O1
InChIInChI=1S/C10H15F3O2/c1-6(2)3-7(14)4-8-5-9(15-8)10(11,12)13/h3,7-9,14H,4-5H2,1-2H3
InChIKeySAFOTBYXCNQAHE-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.42
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 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol (CID 151809090) is 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol is CC(C)=CC(O)CC1CC(C(F)(F)F)O1.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol?
The InChIKey is SAFOTBYXCNQAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-6(2)3-7(14)4-8-5-9(15-8)10(11,12)13/h3,7-9,14H,4-5H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol?
4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol has a molecular weight of 224.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol is sourced from PubChem (CID 151809090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).