1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene

C12H15F3 — CID 71203185

IUPAC1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene
SMILESCC(F)c1ccc(C(F)(F)C(C)C)cc1
InChIInChI=1S/C12H15F3/c1-8(2)12(14,15)11-6-4-10(5-7-11)9(3)13/h4-9H,1-3H3
InChIKeyDALWEIYQSCHVIA-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.46
Rot. Bonds3

About 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene

1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene (PubChem CID 71203185) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene
PubChem CID71203185
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene
SMILESCC(F)c1ccc(C(F)(F)C(C)C)cc1
InChIInChI=1S/C12H15F3/c1-8(2)12(14,15)11-6-4-10(5-7-11)9(3)13/h4-9H,1-3H3
InChIKeyDALWEIYQSCHVIA-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene?
The IUPAC name of 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene (CID 71203185) is 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene.
What is the SMILES notation for 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene?
The canonical SMILES for 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene is CC(F)c1ccc(C(F)(F)C(C)C)cc1.
What is the InChIKey of 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene?
The InChIKey is DALWEIYQSCHVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-8(2)12(14,15)11-6-4-10(5-7-11)9(3)13/h4-9H,1-3H3.
What are the key properties of 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene?
1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene has a molecular weight of 216.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene is sourced from PubChem (CID 71203185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).