2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C12H17F4N3O2 — CID 103473002

IUPAC2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCC1(c2nc(COCC(F)(F)C(F)F)no2)CCCC1N
InChIInChI=1S/C12H17F4N3O2/c1-11(4-2-3-7(11)17)10-18-8(19-21-10)5-20-6-12(15,16)9(13)14/h7,9H,2-6,17H2,1H3
InChIKeyDPCOZHWLBVDABJ-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.26
Rot. Bonds6

About 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 103473002) has the molecular formula C12H17F4N3O2 and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID103473002
Molecular FormulaC12H17F4N3O2
Molecular Weight311.28 g/mol
Exact Mass311.13
IUPAC Name2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCC1(c2nc(COCC(F)(F)C(F)F)no2)CCCC1N
InChIInChI=1S/C12H17F4N3O2/c1-11(4-2-3-7(11)17)10-18-8(19-21-10)5-20-6-12(15,16)9(13)14/h7,9H,2-6,17H2,1H3
InChIKeyDPCOZHWLBVDABJ-UHFFFAOYSA-N
XLogP2.26
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 103473002) is 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CC1(c2nc(COCC(F)(F)C(F)F)no2)CCCC1N.
What is the InChIKey of 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is DPCOZHWLBVDABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O2/c1-11(4-2-3-7(11)17)10-18-8(19-21-10)5-20-6-12(15,16)9(13)14/h7,9H,2-6,17H2,1H3.
What are the key properties of 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 311.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 103473002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).