ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

C10H13F3N+ — CID 40609421

IUPACethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
SMILESCC[NH2+]Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-2-14-7-8-4-3-5-9(6-8)10(11,12)13/h3-6,14H,2,7H2,1H3/p+1
InChIKeyMGSDOCJVFWZVGG-UHFFFAOYSA-O
MW204.22 g/mol
LogP1.79
Rot. Bonds3

About ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 40609421) has the molecular formula C10H13F3N+ and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Nameethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID40609421
Molecular FormulaC10H13F3N+
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
SMILESCC[NH2+]Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-2-14-7-8-4-3-5-9(6-8)10(11,12)13/h3-6,14H,2,7H2,1H3/p+1
InChIKeyMGSDOCJVFWZVGG-UHFFFAOYSA-O
XLogP1.79
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62723896
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501

Frequently Asked Questions

What is the IUPAC name of ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium (CID 40609421) is ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium is CC[NH2+]Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is MGSDOCJVFWZVGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12F3N/c1-2-14-7-8-4-3-5-9(6-8)10(11,12)13/h3-6,14H,2,7H2,1H3/p+1.
What are the key properties of ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium?
ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 204.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 40609421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).