4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline

C11H9F4N3O — CID 107914458

IUPAC4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCc1nnc(CNc2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C11H9F4N3O/c1-6-17-18-10(19-6)5-16-7-2-3-9(12)8(4-7)11(13,14)15/h2-4,16H,5H2,1H3
InChIKeyMCZGWJTWQFDBAL-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.15
Rot. Bonds3

About 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline

4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 107914458) has the molecular formula C11H9F4N3O and a molecular weight of 275.21 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline
PubChem CID107914458
Molecular FormulaC11H9F4N3O
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Name4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCc1nnc(CNc2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C11H9F4N3O/c1-6-17-18-10(19-6)5-16-7-2-3-9(12)8(4-7)11(13,14)15/h2-4,16H,5H2,1H3
InChIKeyMCZGWJTWQFDBAL-UHFFFAOYSA-N
XLogP3.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914486
3,4,5-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015357
3-bromo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107914944
4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 103604764
3,5-dichloro-4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914951
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651633
4-fluoro-N-[(3-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 61229964
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206
2,3,4,5,6-pentafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914791
4-fluoro-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 71906838
2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914730

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline (CID 107914458) is 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline is Cc1nnc(CNc2ccc(F)c(C(F)(F)F)c2)o1.
What is the InChIKey of 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is MCZGWJTWQFDBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c1-6-17-18-10(19-6)5-16-7-2-3-9(12)8(4-7)11(13,14)15/h2-4,16H,5H2,1H3.
What are the key properties of 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline?
4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 275.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 107914458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).