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

C10H9F3O — CID 53235736

IUPAC1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h2-6,9,14H,1H2
InChIKeyVFDMYKCCZHMFJX-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.92
Rot. Bonds2

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

1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 53235736) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID53235736
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h2-6,9,14H,1H2
InChIKeyVFDMYKCCZHMFJX-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.92
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 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 53235736) is 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is C=CC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is VFDMYKCCZHMFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h2-6,9,14H,1H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 202.17 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 53235736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).