(E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine

C13H22F3NO — CID 59351005

IUPAC(E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
SMILESCC(C)(C)C/C(=N\OC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H22F3NO/c1-12(2,3)9-11(17-18-13(14,15)16)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3/b17-11+
InChIKeyNAZUSTUNLGNFJP-GZTJUZNOSA-N
MW265.32 g/mol
LogP4.90
Rot. Bonds3

About (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine

(E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine (PubChem CID 59351005) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
PubChem CID59351005
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name(E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
SMILESCC(C)(C)C/C(=N\OC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H22F3NO/c1-12(2,3)9-11(17-18-13(14,15)16)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3/b17-11+
InChIKeyNAZUSTUNLGNFJP-GZTJUZNOSA-N
XLogP4.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.90
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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Related Compounds

4-tert-butyl-N-methoxycyclohexan-1-imine
CID 280716
(NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
CID 22769340
(NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
CID 22769384
(NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine
CID 22769430
(NZ)-N-[2-fluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine
CID 22769436
N-methoxy-4-(5,5,5-trifluoropentyl)cyclohexan-1-imine
CID 58329768
(E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 59350944
(Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 59350946
(Z)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 59351001
1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 72268052
1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 72268094
N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
CID 73997476

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The IUPAC name of (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine (CID 59351005) is (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine.
What is the SMILES notation for (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The canonical SMILES for (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine is CC(C)(C)C/C(=N\OC(F)(F)F)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The InChIKey is NAZUSTUNLGNFJP-GZTJUZNOSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-12(2,3)9-11(17-18-13(14,15)16)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3/b17-11+.
What are the key properties of (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
(E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine has a molecular weight of 265.32 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine is sourced from PubChem (CID 59351005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).