1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine

C15H25F2NO — CID 177205441

IUPAC1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine
SMILESC1CCNCC1.CC.Cc1cccc(OC(F)F)c1
InChIInChI=1S/C8H8F2O.C5H11N.C2H6/c1-6-3-2-4-7(5-6)11-8(9)10;1-2-4-6-5-3-1;1-2/h2-5,8H,1H3;6H,1-5H2;1-2H3
InChIKeyPTMHRYUGAWKJKD-UHFFFAOYSA-N
MW273.37 g/mol
LogP4.38
Rot. Bonds2

About 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine

1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine (PubChem CID 177205441) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine
PubChem CID177205441
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine
SMILESC1CCNCC1.CC.Cc1cccc(OC(F)F)c1
InChIInChI=1S/C8H8F2O.C5H11N.C2H6/c1-6-3-2-4-7(5-6)11-8(9)10;1-2-4-6-5-3-1;1-2/h2-5,8H,1H3;6H,1-5H2;1-2H3
InChIKeyPTMHRYUGAWKJKD-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine?
The IUPAC name of 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine (CID 177205441) is 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine.
What is the SMILES notation for 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine?
The canonical SMILES for 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine is C1CCNCC1.CC.Cc1cccc(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine?
The InChIKey is PTMHRYUGAWKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O.C5H11N.C2H6/c1-6-3-2-4-7(5-6)11-8(9)10;1-2-4-6-5-3-1;1-2/h2-5,8H,1H3;6H,1-5H2;1-2H3.
What are the key properties of 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine?
1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine has a molecular weight of 273.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-methylbenzene;ethane;piperidine is sourced from PubChem (CID 177205441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).