1,2,4,5-tetrafluoro-3-propylbenzene

C9H8F4 — CID 12944004

IUPAC1,2,4,5-tetrafluoro-3-propylbenzene
SMILESCCCc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H8F4/c1-2-3-5-8(12)6(10)4-7(11)9(5)13/h4H,2-3H2,1H3
InChIKeySFKJHVUNOACDHB-UHFFFAOYSA-N
MW192.16 g/mol
LogP3.20
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3-propylbenzene

1,2,4,5-tetrafluoro-3-propylbenzene (PubChem CID 12944004) has the molecular formula C9H8F4 and a molecular weight of 192.16 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-propylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-propylbenzene
PubChem CID12944004
Molecular FormulaC9H8F4
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name1,2,4,5-tetrafluoro-3-propylbenzene
SMILESCCCc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H8F4/c1-2-3-5-8(12)6(10)4-7(11)9(5)13/h4H,2-3H2,1H3
InChIKeySFKJHVUNOACDHB-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
1-chloro-2,4,5-trifluoro-3-propylbenzene
CID 144809171
2-(2,3,5,6-tetrafluorophenyl)ethanol
CID 55267363
1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene
CID 158676159
(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane
CID 166866100
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
1,2,3,4,5,6-hexafluoro-8-propylnaphthalene
CID 173028209
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
1-ethenyl-2,3,5,6-tetrafluoro-4-propylbenzene
CID 168782513
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117
2,3-difluoro-5-propylphenol;ethane
CID 143889142
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-propylbenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-propylbenzene (CID 12944004) is 1,2,4,5-tetrafluoro-3-propylbenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-propylbenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-propylbenzene is CCCc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-propylbenzene?
The InChIKey is SFKJHVUNOACDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4/c1-2-3-5-8(12)6(10)4-7(11)9(5)13/h4H,2-3H2,1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-propylbenzene?
1,2,4,5-tetrafluoro-3-propylbenzene has a molecular weight of 192.16 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-propylbenzene is sourced from PubChem (CID 12944004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).