3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol

C9H7F3O — CID 131240617

IUPAC3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol
SMILESOc1cccc(/C=C/C(F)(F)F)c1
InChIInChI=1S/C9H7F3O/c10-9(11,12)5-4-7-2-1-3-8(13)6-7/h1-6,13H/b5-4+
InChIKeyPVORCAFENNXNRC-SNAWJCMRSA-N
MW188.15 g/mol
LogP2.97
Rot. Bonds1

About 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol

3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol (PubChem CID 131240617) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol.

Molecular Properties

Compound Name3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol
PubChem CID131240617
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol
SMILESOc1cccc(/C=C/C(F)(F)F)c1
InChIInChI=1S/C9H7F3O/c10-9(11,12)5-4-7-2-1-3-8(13)6-7/h1-6,13H/b5-4+
InChIKeyPVORCAFENNXNRC-SNAWJCMRSA-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 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol?
The IUPAC name of 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol (CID 131240617) is 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol.
What is the SMILES notation for 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol?
The canonical SMILES for 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol is Oc1cccc(/C=C/C(F)(F)F)c1.
What is the InChIKey of 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol?
The InChIKey is PVORCAFENNXNRC-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H7F3O/c10-9(11,12)5-4-7-2-1-3-8(13)6-7/h1-6,13H/b5-4+.
What are the key properties of 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol?
3-[(E)-3,3,3-trifluoroprop-1-enyl]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 3-[(E)-3,3,3-trifluoroprop-1-enyl]phenol is sourced from PubChem (CID 131240617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).