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

C9H11F4N3O — CID 104632969

IUPACN-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESFC(F)C(F)(F)c1nnc(CCNC2CC2)o1
InChIInChI=1S/C9H11F4N3O/c10-7(11)9(12,13)8-16-15-6(17-8)3-4-14-5-1-2-5/h5,7,14H,1-4H2
InChIKeyHKGLIBFCOJVEHD-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.72
Rot. Bonds6

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

N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 104632969) has the molecular formula C9H11F4N3O and a molecular weight of 253.20 g/mol. Its IUPAC name is N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID104632969
Molecular FormulaC9H11F4N3O
Molecular Weight253.20 g/mol
Exact Mass253.08
IUPAC NameN-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESFC(F)C(F)(F)c1nnc(CCNC2CC2)o1
InChIInChI=1S/C9H11F4N3O/c10-7(11)9(12,13)8-16-15-6(17-8)3-4-14-5-1-2-5/h5,7,14H,1-4H2
InChIKeyHKGLIBFCOJVEHD-UHFFFAOYSA-N
XLogP1.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 104632959
2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole
CID 104632668
[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 104632907
5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 82468042
N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
CID 62162767
N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 112603888
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62163473
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 63834383
N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine
CID 82467812

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 104632969) is N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is FC(F)C(F)(F)c1nnc(CCNC2CC2)o1.
What is the InChIKey of N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is HKGLIBFCOJVEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3O/c10-7(11)9(12,13)8-16-15-6(17-8)3-4-14-5-1-2-5/h5,7,14H,1-4H2.
What are the key properties of N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 253.20 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 104632969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).