4-(3,3,3-trifluoroprop-1-en-2-yl)phenol

C9H7F3O — CID 58177606

IUPAC4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
SMILESC=C(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C9H7F3O/c1-6(9(10,11)12)7-2-4-8(13)5-3-7/h2-5,13H,1H2
InChIKeyGYTKJBDMIZTIIU-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.97
Rot. Bonds1

About 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol

4-(3,3,3-trifluoroprop-1-en-2-yl)phenol (PubChem CID 58177606) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol.

Molecular Properties

Compound Name4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
PubChem CID58177606
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
SMILESC=C(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C9H7F3O/c1-6(9(10,11)12)7-2-4-8(13)5-3-7/h2-5,13H,1H2
InChIKeyGYTKJBDMIZTIIU-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol?
The IUPAC name of 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol (CID 58177606) is 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol.
What is the SMILES notation for 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol?
The canonical SMILES for 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol is C=C(c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol?
The InChIKey is GYTKJBDMIZTIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c1-6(9(10,11)12)7-2-4-8(13)5-3-7/h2-5,13H,1H2.
What are the key properties of 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol?
4-(3,3,3-trifluoroprop-1-en-2-yl)phenol has a molecular weight of 188.15 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoroprop-1-en-2-yl)phenol is sourced from PubChem (CID 58177606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).