N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine

C10H13F8N — CID 121451127

IUPACN-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
SMILESCC(CCC=C(C(F)(F)F)C(F)(F)F)NCC(F)F
InChIInChI=1S/C10H13F8N/c1-6(19-5-8(11)12)3-2-4-7(9(13,14)15)10(16,17)18/h4,6,8,19H,2-3,5H2,1H3
InChIKeyJCYOEEDOCGOPGF-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.06
Rot. Bonds6

About N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine

N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine (PubChem CID 121451127) has the molecular formula C10H13F8N and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
PubChem CID121451127
Molecular FormulaC10H13F8N
Molecular Weight299.21 g/mol
Exact Mass299.09
IUPAC NameN-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
SMILESCC(CCC=C(C(F)(F)F)C(F)(F)F)NCC(F)F
InChIInChI=1S/C10H13F8N/c1-6(19-5-8(11)12)3-2-4-7(9(13,14)15)10(16,17)18/h4,6,8,19H,2-3,5H2,1H3
InChIKeyJCYOEEDOCGOPGF-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.06
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-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine (CID 121451127) is N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine is CC(CCC=C(C(F)(F)F)C(F)(F)F)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine?
The InChIKey is JCYOEEDOCGOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F8N/c1-6(19-5-8(11)12)3-2-4-7(9(13,14)15)10(16,17)18/h4,6,8,19H,2-3,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine?
N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine has a molecular weight of 299.21 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine is sourced from PubChem (CID 121451127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).