2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline

C11H9F4N3O — CID 106404686

IUPAC2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESFc1cc(C(F)(F)F)ccc1NCCc1ncon1
InChIInChI=1S/C11H9F4N3O/c12-8-5-7(11(13,14)15)1-2-9(8)16-4-3-10-17-6-19-18-10/h1-2,5-6,16H,3-4H2
InChIKeySQLPROGKARUYQY-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.88
Rot. Bonds4

About 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline

2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 106404686) has the molecular formula C11H9F4N3O and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID106404686
Molecular FormulaC11H9F4N3O
Molecular Weight275.20 g/mol
Exact Mass275.07
IUPAC Name2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESFc1cc(C(F)(F)F)ccc1NCCc1ncon1
InChIInChI=1S/C11H9F4N3O/c12-8-5-7(11(13,14)15)1-2-9(8)16-4-3-10-17-6-19-18-10/h1-2,5-6,16H,3-4H2
InChIKeySQLPROGKARUYQY-UHFFFAOYSA-N
XLogP2.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394020
N-(4-chlorobutyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304185
2-fluoro-N-(2-methylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 103850214
2-chloro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,4-diamine
CID 106394049
4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394130
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 106395347
4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106393935
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979
2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114183799
5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106404166
3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106398946

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline (CID 106404686) is 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline is Fc1cc(C(F)(F)F)ccc1NCCc1ncon1.
What is the InChIKey of 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is SQLPROGKARUYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c12-8-5-7(11(13,14)15)1-2-9(8)16-4-3-10-17-6-19-18-10/h1-2,5-6,16H,3-4H2.
What are the key properties of 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline?
2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 275.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 106404686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).