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

C9H8F4 — CID 88575988

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

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

1,2,3,5-tetrafluoro-4-propylbenzene (PubChem CID 88575988) has the molecular formula C9H8F4 and a molecular weight of 192.16 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4-propylbenzene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4-propylbenzene
PubChem CID88575988
Molecular FormulaC9H8F4
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name1,2,3,5-tetrafluoro-4-propylbenzene
SMILESCCCc1c(F)cc(F)c(F)c1F
InChIInChI=1S/C9H8F4/c1-2-3-5-6(10)4-7(11)9(13)8(5)12/h4H,2-3H2,1H3
InChIKeyKFOSJDQAYRUCAK-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,5-tetrafluoro-4-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
1-chloro-2,4,5-trifluoro-3-propylbenzene
CID 144809171
2-[chloro(deuterio)methyl]-1,3,4,5-tetrafluorobenzene
CID 87290115
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene
CID 158676159
1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene
CID 144965561
(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane
CID 166866100
(2,4-difluoro-3-propylphenyl)methanamine
CID 165472681
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
2-fluoro-6-[2-(2,3,5-trifluoro-4-propylphenyl)ethynyl]naphthalene
CID 139854129
1,2,3,4,5,6-hexafluoro-8-propylnaphthalene
CID 173028209
2-(bromomethyl)-1,3-difluoro-5-propylbenzene
CID 142578213

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrafluoro-4-propylbenzene?
The IUPAC name of 1,2,3,5-tetrafluoro-4-propylbenzene (CID 88575988) is 1,2,3,5-tetrafluoro-4-propylbenzene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4-propylbenzene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4-propylbenzene is CCCc1c(F)cc(F)c(F)c1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4-propylbenzene?
The InChIKey is KFOSJDQAYRUCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4/c1-2-3-5-6(10)4-7(11)9(13)8(5)12/h4H,2-3H2,1H3.
What are the key properties of 1,2,3,5-tetrafluoro-4-propylbenzene?
1,2,3,5-tetrafluoro-4-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 1,2,3,5-tetrafluoro-4-propylbenzene is sourced from PubChem (CID 88575988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).