N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine

C14H11F6N3O — CID 135353236

IUPACN-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1nc(-c2ccc(C(NC3CC3)C(F)(F)F)cc2)no1
InChIInChI=1S/C14H11F6N3O/c15-13(16,17)10(21-9-5-6-9)7-1-3-8(4-2-7)11-22-12(24-23-11)14(18,19)20/h1-4,9-10,21H,5-6H2
InChIKeyQECAFRCTMCMWDK-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.11
Rot. Bonds4

About N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine

N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine (PubChem CID 135353236) has the molecular formula C14H11F6N3O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine
PubChem CID135353236
Molecular FormulaC14H11F6N3O
Molecular Weight351.25 g/mol
Exact Mass351.08
IUPAC NameN-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1nc(-c2ccc(C(NC3CC3)C(F)(F)F)cc2)no1
InChIInChI=1S/C14H11F6N3O/c15-13(16,17)10(21-9-5-6-9)7-1-3-8(4-2-7)11-22-12(24-23-11)14(18,19)20/h1-4,9-10,21H,5-6H2
InChIKeyQECAFRCTMCMWDK-UHFFFAOYSA-N
XLogP4.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine with MolForge

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Related Compounds

N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 123961632
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethane-1,2-diol
CID 155192965
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
N-cyclopropyl-2-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 146268616
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
cis-(1R,3S)-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677738
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71557005
3-(4-tert-butylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370360
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxamide
CID 119314177
1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328695
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine (CID 135353236) is N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine is FC(F)(F)c1nc(-c2ccc(C(NC3CC3)C(F)(F)F)cc2)no1.
What is the InChIKey of N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine?
The InChIKey is QECAFRCTMCMWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O/c15-13(16,17)10(21-9-5-6-9)7-1-3-8(4-2-7)11-22-12(24-23-11)14(18,19)20/h1-4,9-10,21H,5-6H2.
What are the key properties of N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine?
N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine has a molecular weight of 351.25 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 135353236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).