4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline

C15H17F2NO — CID 58044376

IUPAC4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
SMILESCC(C)(C)C(F)(F)OCc1ccnc2ccccc12
InChIInChI=1S/C15H17F2NO/c1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13/h4-9H,10H2,1-3H3
InChIKeyJSGDGQDEGTURLM-UHFFFAOYSA-N
MW265.30 g/mol
LogP4.39
Rot. Bonds3

About 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline

4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline (PubChem CID 58044376) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline.

Molecular Properties

Compound Name4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
PubChem CID58044376
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
SMILESCC(C)(C)C(F)(F)OCc1ccnc2ccccc12
InChIInChI=1S/C15H17F2NO/c1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13/h4-9H,10H2,1-3H3
InChIKeyJSGDGQDEGTURLM-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The IUPAC name of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline (CID 58044376) is 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline.
What is the SMILES notation for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The canonical SMILES for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline is CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.
What is the InChIKey of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The InChIKey is JSGDGQDEGTURLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13/h4-9H,10H2,1-3H3.
What are the key properties of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline has a molecular weight of 265.30 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline is sourced from PubChem (CID 58044376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).