1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine

C12H16F5N — CID 139425189

IUPAC1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine
SMILES[H]/N=C(/C1=C(C)C(F)(F)C(C)C1(C)CC)C(F)(F)F
InChIInChI=1S/C12H16F5N/c1-5-10(4)7(3)11(13,14)6(2)8(10)9(18)12(15,16)17/h7,18H,5H2,1-4H3/b18-9-
InChIKeyMCUFJRMWJZLZAS-NVMNQCDNSA-N
MW269.26 g/mol
LogP4.59
Rot. Bonds2

About 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine

1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine (PubChem CID 139425189) has the molecular formula C12H16F5N and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine.

Molecular Properties

Compound Name1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine
PubChem CID139425189
Molecular FormulaC12H16F5N
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine
SMILES[H]/N=C(/C1=C(C)C(F)(F)C(C)C1(C)CC)C(F)(F)F
InChIInChI=1S/C12H16F5N/c1-5-10(4)7(3)11(13,14)6(2)8(10)9(18)12(15,16)17/h7,18H,5H2,1-4H3/b18-9-
InChIKeyMCUFJRMWJZLZAS-NVMNQCDNSA-N
XLogP4.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine?
The IUPAC name of 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine (CID 139425189) is 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine.
What is the SMILES notation for 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine?
The canonical SMILES for 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine is [H]/N=C(/C1=C(C)C(F)(F)C(C)C1(C)CC)C(F)(F)F.
What is the InChIKey of 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine?
The InChIKey is MCUFJRMWJZLZAS-NVMNQCDNSA-N. The full InChI is InChI=1S/C12H16F5N/c1-5-10(4)7(3)11(13,14)6(2)8(10)9(18)12(15,16)17/h7,18H,5H2,1-4H3/b18-9-.
What are the key properties of 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine?
1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine has a molecular weight of 269.26 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3,3-difluoro-2,4,5-trimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine is sourced from PubChem (CID 139425189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).