1,1,1-trifluoro-4-phenylpent-4-en-2-ol

C11H11F3O — CID 155930929

IUPAC1,1,1-trifluoro-4-phenylpent-4-en-2-ol
SMILESC=C(CC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F3O/c1-8(7-10(15)11(12,13)14)9-5-3-2-4-6-9/h2-6,10,15H,1,7H2
InChIKeyOBSSEBPJJZCPCY-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.01
Rot. Bonds3

About 1,1,1-trifluoro-4-phenylpent-4-en-2-ol

1,1,1-trifluoro-4-phenylpent-4-en-2-ol (PubChem CID 155930929) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-phenylpent-4-en-2-ol
PubChem CID155930929
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1,1,1-trifluoro-4-phenylpent-4-en-2-ol
SMILESC=C(CC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F3O/c1-8(7-10(15)11(12,13)14)9-5-3-2-4-6-9/h2-6,10,15H,1,7H2
InChIKeyOBSSEBPJJZCPCY-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-phenylpent-4-en-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-phenylpent-4-en-2-ol (CID 155930929) is 1,1,1-trifluoro-4-phenylpent-4-en-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-phenylpent-4-en-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-phenylpent-4-en-2-ol is C=C(CC(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-4-phenylpent-4-en-2-ol?
The InChIKey is OBSSEBPJJZCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-8(7-10(15)11(12,13)14)9-5-3-2-4-6-9/h2-6,10,15H,1,7H2.
What are the key properties of 1,1,1-trifluoro-4-phenylpent-4-en-2-ol?
1,1,1-trifluoro-4-phenylpent-4-en-2-ol has a molecular weight of 216.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-phenylpent-4-en-2-ol is sourced from PubChem (CID 155930929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).