1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine

C10H16F3N — CID 138661138

IUPAC1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine
SMILES[H]/N=C(\C)C1CC(C(C)C)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c1-6(2)9(10(11,12)13)4-8(5-9)7(3)14/h6,8,14H,4-5H2,1-3H3/b14-7+
InChIKeyNQDTVSWMNWTMOR-VGOFMYFVSA-N
MW207.24 g/mol
LogP3.64
Rot. Bonds2

About 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine

1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine (PubChem CID 138661138) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine.

Molecular Properties

Compound Name1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine
PubChem CID138661138
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine
SMILES[H]/N=C(\C)C1CC(C(C)C)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c1-6(2)9(10(11,12)13)4-8(5-9)7(3)14/h6,8,14H,4-5H2,1-3H3/b14-7+
InChIKeyNQDTVSWMNWTMOR-VGOFMYFVSA-N
XLogP3.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.64
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-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine?
The IUPAC name of 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine (CID 138661138) is 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine.
What is the SMILES notation for 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine?
The canonical SMILES for 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine is [H]/N=C(\C)C1CC(C(C)C)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine?
The InChIKey is NQDTVSWMNWTMOR-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H16F3N/c1-6(2)9(10(11,12)13)4-8(5-9)7(3)14/h6,8,14H,4-5H2,1-3H3/b14-7+.
What are the key properties of 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine?
1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine has a molecular weight of 207.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-propan-2-yl-3-(trifluoromethyl)cyclobutyl]ethanimine is sourced from PubChem (CID 138661138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).