N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine

C11H15F6N — CID 121451124

IUPACN-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine
SMILESCC(CCC=C(C(F)(F)F)C(F)(F)F)NC1CC1
InChIInChI=1S/C11H15F6N/c1-7(18-8-5-6-8)3-2-4-9(10(12,13)14)11(15,16)17/h4,7-8,18H,2-3,5-6H2,1H3
InChIKeyVMURRJGOIPIWQH-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.96
Rot. Bonds5

About N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine

N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine (PubChem CID 121451124) has the molecular formula C11H15F6N and a molecular weight of 275.24 g/mol. Its IUPAC name is N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine
PubChem CID121451124
Molecular FormulaC11H15F6N
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC NameN-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine
SMILESCC(CCC=C(C(F)(F)F)C(F)(F)F)NC1CC1
InChIInChI=1S/C11H15F6N/c1-7(18-8-5-6-8)3-2-4-9(10(12,13)14)11(15,16)17/h4,7-8,18H,2-3,5-6H2,1H3
InChIKeyVMURRJGOIPIWQH-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine?
The IUPAC name of N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine (CID 121451124) is N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine.
What is the SMILES notation for N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine?
The canonical SMILES for N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine is CC(CCC=C(C(F)(F)F)C(F)(F)F)NC1CC1.
What is the InChIKey of N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine?
The InChIKey is VMURRJGOIPIWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6N/c1-7(18-8-5-6-8)3-2-4-9(10(12,13)14)11(15,16)17/h4,7-8,18H,2-3,5-6H2,1H3.
What are the key properties of N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine?
N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine has a molecular weight of 275.24 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-yl]cyclopropanamine is sourced from PubChem (CID 121451124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).