2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

C11H11F3O — CID 135083889

IUPAC2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESC=CC(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O/c1-2-8(7-15)9-3-5-10(6-4-9)11(12,13)14/h2-6,8,15H,1,7H2
InChIKeyFMFZTKZVZNWYTL-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.97
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 135083889) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID135083889
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESC=CC(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O/c1-2-8(7-15)9-3-5-10(6-4-9)11(12,13)14/h2-6,8,15H,1,7H2
InChIKeyFMFZTKZVZNWYTL-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 135083889) is 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is C=CC(CO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is FMFZTKZVZNWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-2-8(7-15)9-3-5-10(6-4-9)11(12,13)14/h2-6,8,15H,1,7H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 216.20 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 135083889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).