difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine

C13H20F3N — CID 145244546

IUPACdifluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine
SMILESC=Cc1ccc(F)c(CNC)c1.CC.FCF
InChIInChI=1S/C10H12FN.C2H6.CH2F2/c1-3-8-4-5-10(11)9(6-8)7-12-2;1-2;2-1-3/h3-6,12H,1,7H2,2H3;1-2H3;1H2
InChIKeyXNGXOBVGWYIYMQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.10
Rot. Bonds3

About difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine

difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine (PubChem CID 145244546) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Namedifluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine
PubChem CID145244546
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Namedifluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine
SMILESC=Cc1ccc(F)c(CNC)c1.CC.FCF
InChIInChI=1S/C10H12FN.C2H6.CH2F2/c1-3-8-4-5-10(11)9(6-8)7-12-2;1-2;2-1-3/h3-6,12H,1,7H2,2H3;1-2H3;1H2
InChIKeyXNGXOBVGWYIYMQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-ethenyl-2-fluorophenyl)methanamine
CID 107430288
difluoromethane;ethane;1-[4-fluoro-3-(methylaminomethyl)phenyl]ethane-1,2-diol
CID 145244610
4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline
CID 84750842
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
CID 82669041
1-[3-(but-3-enoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107456756
1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine
CID 84750840
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
4-ethenyl-2-fluoro-1-methylbenzene
CID 20708999
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 107454826
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112

Frequently Asked Questions

What is the IUPAC name of difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine (CID 145244546) is difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine is C=Cc1ccc(F)c(CNC)c1.CC.FCF.
What is the InChIKey of difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is XNGXOBVGWYIYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.C2H6.CH2F2/c1-3-8-4-5-10(11)9(6-8)7-12-2;1-2;2-1-3/h3-6,12H,1,7H2,2H3;1-2H3;1H2.
What are the key properties of difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine?
difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 247.30 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;ethane;1-(5-ethenyl-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 145244546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).