(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine

C10H16F3N — CID 152802956

IUPAC(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine
SMILES[H]/N=C/C(=C\C)C(C(C)CC)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-4-7(3)9(10(11,12)13)8(5-2)6-14/h5-7,9,14H,4H2,1-3H3/b8-5+,14-6+
InChIKeySOLRYQNLIFVFCM-FIMQIGFOSA-N
MW207.24 g/mol
LogP3.81
Rot. Bonds4

About (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine

(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine (PubChem CID 152802956) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine
PubChem CID152802956
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine
SMILES[H]/N=C/C(=C\C)C(C(C)CC)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-4-7(3)9(10(11,12)13)8(5-2)6-14/h5-7,9,14H,4H2,1-3H3/b8-5+,14-6+
InChIKeySOLRYQNLIFVFCM-FIMQIGFOSA-N
XLogP3.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.81
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 (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine?
The IUPAC name of (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine (CID 152802956) is (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine.
What is the SMILES notation for (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine?
The canonical SMILES for (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine is [H]/N=C/C(=C\C)C(C(C)CC)C(F)(F)F.
What is the InChIKey of (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine?
The InChIKey is SOLRYQNLIFVFCM-FIMQIGFOSA-N. The full InChI is InChI=1S/C10H16F3N/c1-4-7(3)9(10(11,12)13)8(5-2)6-14/h5-7,9,14H,4H2,1-3H3/b8-5+,14-6+.
What are the key properties of (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine?
(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine has a molecular weight of 207.24 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine is sourced from PubChem (CID 152802956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).