1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene

C10H7F5O — CID 23272911

IUPAC1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene
SMILESFC(F)=C(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F5O/c11-9(12)8(10(13,14)15)16-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyPWCGVNVLQVBLKT-UHFFFAOYSA-N
MW238.16 g/mol
LogP3.87
Rot. Bonds3

About 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene

1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene (PubChem CID 23272911) has the molecular formula C10H7F5O and a molecular weight of 238.16 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene
PubChem CID23272911
Molecular FormulaC10H7F5O
Molecular Weight238.16 g/mol
Exact Mass238.04
IUPAC Name1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene
SMILESFC(F)=C(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F5O/c11-9(12)8(10(13,14)15)16-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyPWCGVNVLQVBLKT-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene?
The IUPAC name of 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene (CID 23272911) is 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene.
What is the SMILES notation for 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene?
The canonical SMILES for 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene is FC(F)=C(OCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene?
The InChIKey is PWCGVNVLQVBLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O/c11-9(12)8(10(13,14)15)16-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene?
1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene has a molecular weight of 238.16 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoroprop-1-en-2-yloxymethylbenzene is sourced from PubChem (CID 23272911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).