1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene

C10H7F5O — CID 91553532

IUPAC1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene
SMILESCC=COCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F5O/c1-2-3-16-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-3H,4H2,1H3
InChIKeyPPBJNWWUVDMWER-UHFFFAOYSA-N
MW238.15 g/mol
LogP3.43
Rot. Bonds3

About 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene

1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene (PubChem CID 91553532) has the molecular formula C10H7F5O and a molecular weight of 238.15 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene
PubChem CID91553532
Molecular FormulaC10H7F5O
Molecular Weight238.15 g/mol
Exact Mass238.04
IUPAC Name1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene
SMILESCC=COCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F5O/c1-2-3-16-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-3H,4H2,1H3
InChIKeyPPBJNWWUVDMWER-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene (CID 91553532) is 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene is CC=COCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene?
The InChIKey is PPBJNWWUVDMWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O/c1-2-3-16-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-3H,4H2,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene?
1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene has a molecular weight of 238.15 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(prop-1-enoxymethyl)benzene is sourced from PubChem (CID 91553532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).