3-(3,4,5-trifluorophenyl)prop-2-en-1-ol

C9H7F3O — CID 79334205

IUPAC3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
SMILESOCC=Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H7F3O/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h1-2,4-5,13H,3H2
InChIKeyUMUGKIRUUIQQTO-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.11
Rot. Bonds2

About 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol

3-(3,4,5-trifluorophenyl)prop-2-en-1-ol (PubChem CID 79334205) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
PubChem CID79334205
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
SMILESOCC=Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H7F3O/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h1-2,4-5,13H,3H2
InChIKeyUMUGKIRUUIQQTO-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol (CID 79334205) is 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol is OCC=Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol?
The InChIKey is UMUGKIRUUIQQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h1-2,4-5,13H,3H2.
What are the key properties of 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol?
3-(3,4,5-trifluorophenyl)prop-2-en-1-ol has a molecular weight of 188.15 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trifluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 79334205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).