(Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine

C12H20F3NO — CID 59350946

IUPAC(Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
SMILESCC(C)(C)C/C(=N/OC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H20F3NO/c1-11(2,3)8-10(9-6-4-5-7-9)16-17-12(13,14)15/h9H,4-8H2,1-3H3/b16-10-
InChIKeyMBZZKRMXEHEOFW-YBEGLDIGSA-N
MW251.29 g/mol
LogP4.51
Rot. Bonds3

About (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine

(Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine (PubChem CID 59350946) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine.

Molecular Properties

Compound Name(Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
PubChem CID59350946
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name(Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
SMILESCC(C)(C)C/C(=N/OC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H20F3NO/c1-11(2,3)8-10(9-6-4-5-7-9)16-17-12(13,14)15/h9H,4-8H2,1-3H3/b16-10-
InChIKeyMBZZKRMXEHEOFW-YBEGLDIGSA-N
XLogP4.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The IUPAC name of (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine (CID 59350946) is (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine.
What is the SMILES notation for (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The canonical SMILES for (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine is CC(C)(C)C/C(=N/OC(F)(F)F)C1CCCC1.
What is the InChIKey of (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The InChIKey is MBZZKRMXEHEOFW-YBEGLDIGSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-11(2,3)8-10(9-6-4-5-7-9)16-17-12(13,14)15/h9H,4-8H2,1-3H3/b16-10-.
What are the key properties of (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
(Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine has a molecular weight of 251.29 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine is sourced from PubChem (CID 59350946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).