2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine

C10H16F3N — CID 166735022

IUPAC2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine
SMILES[H]/N=C/C(CC(CC)C(F)(F)F)C(=C)C
InChIInChI=1S/C10H16F3N/c1-4-9(10(11,12)13)5-8(6-14)7(2)3/h6,8-9,14H,2,4-5H2,1,3H3/b14-6+
InChIKeyZQJGUHHDFCZFAK-MKMNVTDBSA-N
MW207.24 g/mol
LogP3.81
Rot. Bonds5

About 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine

2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine (PubChem CID 166735022) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine.

Molecular Properties

Compound Name2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine
PubChem CID166735022
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine
SMILES[H]/N=C/C(CC(CC)C(F)(F)F)C(=C)C
InChIInChI=1S/C10H16F3N/c1-4-9(10(11,12)13)5-8(6-14)7(2)3/h6,8-9,14H,2,4-5H2,1,3H3/b14-6+
InChIKeyZQJGUHHDFCZFAK-MKMNVTDBSA-N
XLogP3.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine?
The IUPAC name of 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine (CID 166735022) is 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine.
What is the SMILES notation for 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine?
The canonical SMILES for 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine is [H]/N=C/C(CC(CC)C(F)(F)F)C(=C)C.
What is the InChIKey of 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine?
The InChIKey is ZQJGUHHDFCZFAK-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H16F3N/c1-4-9(10(11,12)13)5-8(6-14)7(2)3/h6,8-9,14H,2,4-5H2,1,3H3/b14-6+.
What are the key properties of 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine?
2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine has a molecular weight of 207.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine is sourced from PubChem (CID 166735022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).