3-(difluoromethyl)-N,2-dimethylaniline;ethane

C11H17F2N — CID 169181895

IUPAC3-(difluoromethyl)-N,2-dimethylaniline;ethane
SMILESCC.CNc1cccc(C(F)F)c1C
InChIInChI=1S/C9H11F2N.C2H6/c1-6-7(9(10)11)4-3-5-8(6)12-2;1-2/h3-5,9,12H,1-2H3;1-2H3
InChIKeyDMXNAIYKNKWOPK-UHFFFAOYSA-N
MW201.26 g/mol
LogP4.00
Rot. Bonds2

About 3-(difluoromethyl)-N,2-dimethylaniline;ethane

3-(difluoromethyl)-N,2-dimethylaniline;ethane (PubChem CID 169181895) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-N,2-dimethylaniline;ethane.

Molecular Properties

Compound Name3-(difluoromethyl)-N,2-dimethylaniline;ethane
PubChem CID169181895
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name3-(difluoromethyl)-N,2-dimethylaniline;ethane
SMILESCC.CNc1cccc(C(F)F)c1C
InChIInChI=1S/C9H11F2N.C2H6/c1-6-7(9(10)11)4-3-5-8(6)12-2;1-2/h3-5,9,12H,1-2H3;1-2H3
InChIKeyDMXNAIYKNKWOPK-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N,2-dimethylaniline;ethane?
The IUPAC name of 3-(difluoromethyl)-N,2-dimethylaniline;ethane (CID 169181895) is 3-(difluoromethyl)-N,2-dimethylaniline;ethane.
What is the SMILES notation for 3-(difluoromethyl)-N,2-dimethylaniline;ethane?
The canonical SMILES for 3-(difluoromethyl)-N,2-dimethylaniline;ethane is CC.CNc1cccc(C(F)F)c1C.
What is the InChIKey of 3-(difluoromethyl)-N,2-dimethylaniline;ethane?
The InChIKey is DMXNAIYKNKWOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N.C2H6/c1-6-7(9(10)11)4-3-5-8(6)12-2;1-2/h3-5,9,12H,1-2H3;1-2H3.
What are the key properties of 3-(difluoromethyl)-N,2-dimethylaniline;ethane?
3-(difluoromethyl)-N,2-dimethylaniline;ethane has a molecular weight of 201.26 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N,2-dimethylaniline;ethane is sourced from PubChem (CID 169181895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).