1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

C11H9F7 — CID 14092719

IUPAC1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESCCCCc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C11H9F7/c1-2-3-4-5-7(12)9(14)6(11(16,17)18)10(15)8(5)13/h2-4H2,1H3
InChIKeyIEKKSYZPDFPDSA-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.60
Rot. Bonds3

About 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (PubChem CID 14092719) has the molecular formula C11H9F7 and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
PubChem CID14092719
Molecular FormulaC11H9F7
Molecular Weight274.18 g/mol
Exact Mass274.06
IUPAC Name1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESCCCCc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C11H9F7/c1-2-3-4-5-7(12)9(14)6(11(16,17)18)10(15)8(5)13/h2-4H2,1H3
InChIKeyIEKKSYZPDFPDSA-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene 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

(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanenitrile
CID 174986528
3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)
CID 58185849
1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene
CID 169121749
(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
CID 19433002
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025
1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene
CID 162562728
1,2,3,4,5,6,8-heptafluoro-7-(trifluoromethyl)naphthalene
CID 4313794
ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
CID 88850684
triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium
CID 158335368

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (CID 14092719) is 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is CCCCc1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The InChIKey is IEKKSYZPDFPDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F7/c1-2-3-4-5-7(12)9(14)6(11(16,17)18)10(15)8(5)13/h2-4H2,1H3.
What are the key properties of 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene has a molecular weight of 274.18 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 14092719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).