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

C10H9F3O — CID 21074822

IUPAC1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h2-6,9,14H,1H2
InChIKeyVPNIIUJZYAYFND-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.92
Rot. Bonds2

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

1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 21074822) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID21074822
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h2-6,9,14H,1H2
InChIKeyVPNIIUJZYAYFND-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-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 21074822) is 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol is C=CC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is VPNIIUJZYAYFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h2-6,9,14H,1H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol?
1-[3-(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-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 21074822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).