1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene

C10H10F4O — CID 147057196

IUPAC1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene
SMILESCc1c(F)c(F)c(F)c(F)c1OC(C)C
InChIInChI=1S/C10H10F4O/c1-4(2)15-10-5(3)6(11)7(12)8(13)9(10)14/h4H,1-3H3
InChIKeyBCLRMLRXZYNETC-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.34
Rot. Bonds2

About 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene

1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene (PubChem CID 147057196) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene
PubChem CID147057196
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene
SMILESCc1c(F)c(F)c(F)c(F)c1OC(C)C
InChIInChI=1S/C10H10F4O/c1-4(2)15-10-5(3)6(11)7(12)8(13)9(10)14/h4H,1-3H3
InChIKeyBCLRMLRXZYNETC-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene?
The IUPAC name of 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene (CID 147057196) is 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene is Cc1c(F)c(F)c(F)c(F)c1OC(C)C.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene?
The InChIKey is BCLRMLRXZYNETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-4(2)15-10-5(3)6(11)7(12)8(13)9(10)14/h4H,1-3H3.
What are the key properties of 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene?
1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene has a molecular weight of 222.18 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene is sourced from PubChem (CID 147057196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).