1,1,2,2-tetrafluorobutylbenzene

C10H10F4 — CID 10262376

IUPAC1,1,2,2-tetrafluorobutylbenzene
SMILESCCC(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C10H10F4/c1-2-9(11,12)10(13,14)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyZBOUIEXKSKWWDL-UHFFFAOYSA-N
MW206.18 g/mol
LogP3.82
Rot. Bonds3

About 1,1,2,2-tetrafluorobutylbenzene

1,1,2,2-tetrafluorobutylbenzene (PubChem CID 10262376) has the molecular formula C10H10F4 and a molecular weight of 206.18 g/mol. Its IUPAC name is 1,1,2,2-tetrafluorobutylbenzene.

Molecular Properties

Compound Name1,1,2,2-tetrafluorobutylbenzene
PubChem CID10262376
Molecular FormulaC10H10F4
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name1,1,2,2-tetrafluorobutylbenzene
SMILESCCC(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C10H10F4/c1-2-9(11,12)10(13,14)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyZBOUIEXKSKWWDL-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrafluorobutylbenzene 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

Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluorobutylbenzene?
The IUPAC name of 1,1,2,2-tetrafluorobutylbenzene (CID 10262376) is 1,1,2,2-tetrafluorobutylbenzene.
What is the SMILES notation for 1,1,2,2-tetrafluorobutylbenzene?
The canonical SMILES for 1,1,2,2-tetrafluorobutylbenzene is CCC(F)(F)C(F)(F)c1ccccc1.
What is the InChIKey of 1,1,2,2-tetrafluorobutylbenzene?
The InChIKey is ZBOUIEXKSKWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4/c1-2-9(11,12)10(13,14)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 1,1,2,2-tetrafluorobutylbenzene?
1,1,2,2-tetrafluorobutylbenzene has a molecular weight of 206.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluorobutylbenzene is sourced from PubChem (CID 10262376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).