1,2,3,4,5-pentafluoro-6-propylbenzene

C9H7F5 — CID 18680649

IUPAC1,2,3,4,5-pentafluoro-6-propylbenzene
SMILESCCCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H7F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3H2,1H3
InChIKeyLJEHGOAHCQTFBY-UHFFFAOYSA-N
MW210.14 g/mol
LogP3.33
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-propylbenzene

1,2,3,4,5-pentafluoro-6-propylbenzene (PubChem CID 18680649) has the molecular formula C9H7F5 and a molecular weight of 210.14 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-propylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-propylbenzene
PubChem CID18680649
Molecular FormulaC9H7F5
Molecular Weight210.14 g/mol
Exact Mass210.05
IUPAC Name1,2,3,4,5-pentafluoro-6-propylbenzene
SMILESCCCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H7F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3H2,1H3
InChIKeyLJEHGOAHCQTFBY-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-propylbenzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-propylbenzene (CID 18680649) is 1,2,3,4,5-pentafluoro-6-propylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-propylbenzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-propylbenzene is CCCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-propylbenzene?
The InChIKey is LJEHGOAHCQTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3H2,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-propylbenzene?
1,2,3,4,5-pentafluoro-6-propylbenzene has a molecular weight of 210.14 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-propylbenzene is sourced from PubChem (CID 18680649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).