N-ethyl-3-(trifluoromethoxy)aniline

C9H10F3NO — CID 15391832

IUPACN-ethyl-3-(trifluoromethoxy)aniline
SMILESCCNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-2-13-7-4-3-5-8(6-7)14-9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyUPIVKOMCDMMWNW-UHFFFAOYSA-N
MW205.18 g/mol
LogP3.02
Rot. Bonds3

About N-ethyl-3-(trifluoromethoxy)aniline

N-ethyl-3-(trifluoromethoxy)aniline (PubChem CID 15391832) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethoxy)aniline
PubChem CID15391832
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-ethyl-3-(trifluoromethoxy)aniline
SMILESCCNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-2-13-7-4-3-5-8(6-7)14-9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyUPIVKOMCDMMWNW-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(trifluoromethoxy)aniline?
The IUPAC name of N-ethyl-3-(trifluoromethoxy)aniline (CID 15391832) is N-ethyl-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-ethyl-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-ethyl-3-(trifluoromethoxy)aniline is CCNc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-ethyl-3-(trifluoromethoxy)aniline?
The InChIKey is UPIVKOMCDMMWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-13-7-4-3-5-8(6-7)14-9(10,11)12/h3-6,13H,2H2,1H3.
What are the key properties of N-ethyl-3-(trifluoromethoxy)aniline?
N-ethyl-3-(trifluoromethoxy)aniline has a molecular weight of 205.18 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 15391832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).