4-(1,1-difluoroethoxymethyl)-2-methylquinoline

C13H13F2NO — CID 90124965

IUPAC4-(1,1-difluoroethoxymethyl)-2-methylquinoline
SMILESCc1cc(COC(C)(F)F)c2ccccc2n1
InChIInChI=1S/C13H13F2NO/c1-9-7-10(8-17-13(2,14)15)11-5-3-4-6-12(11)16-9/h3-7H,8H2,1-2H3
InChIKeyQVMZTYMVMLIUSH-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.67
Rot. Bonds3

About 4-(1,1-difluoroethoxymethyl)-2-methylquinoline

4-(1,1-difluoroethoxymethyl)-2-methylquinoline (PubChem CID 90124965) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxymethyl)-2-methylquinoline.

Molecular Properties

Compound Name4-(1,1-difluoroethoxymethyl)-2-methylquinoline
PubChem CID90124965
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-(1,1-difluoroethoxymethyl)-2-methylquinoline
SMILESCc1cc(COC(C)(F)F)c2ccccc2n1
InChIInChI=1S/C13H13F2NO/c1-9-7-10(8-17-13(2,14)15)11-5-3-4-6-12(11)16-9/h3-7H,8H2,1-2H3
InChIKeyQVMZTYMVMLIUSH-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxymethyl)-2-methylquinoline?
The IUPAC name of 4-(1,1-difluoroethoxymethyl)-2-methylquinoline (CID 90124965) is 4-(1,1-difluoroethoxymethyl)-2-methylquinoline.
What is the SMILES notation for 4-(1,1-difluoroethoxymethyl)-2-methylquinoline?
The canonical SMILES for 4-(1,1-difluoroethoxymethyl)-2-methylquinoline is Cc1cc(COC(C)(F)F)c2ccccc2n1.
What is the InChIKey of 4-(1,1-difluoroethoxymethyl)-2-methylquinoline?
The InChIKey is QVMZTYMVMLIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-9-7-10(8-17-13(2,14)15)11-5-3-4-6-12(11)16-9/h3-7H,8H2,1-2H3.
What are the key properties of 4-(1,1-difluoroethoxymethyl)-2-methylquinoline?
4-(1,1-difluoroethoxymethyl)-2-methylquinoline has a molecular weight of 237.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxymethyl)-2-methylquinoline is sourced from PubChem (CID 90124965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).