3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine

C11H20F3N — CID 143513257

IUPAC3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
SMILESC=C(NCC(F)(F)F)C(C)CC(C)CC
InChIInChI=1S/C11H20F3N/c1-5-8(2)6-9(3)10(4)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyYVAIPCLRAWQTEP-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.72
Rot. Bonds6

About 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine

3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine (PubChem CID 143513257) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
PubChem CID143513257
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
SMILESC=C(NCC(F)(F)F)C(C)CC(C)CC
InChIInChI=1S/C11H20F3N/c1-5-8(2)6-9(3)10(4)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyYVAIPCLRAWQTEP-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine?
The IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine (CID 143513257) is 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine.
What is the SMILES notation for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine?
The canonical SMILES for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine is C=C(NCC(F)(F)F)C(C)CC(C)CC.
What is the InChIKey of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine?
The InChIKey is YVAIPCLRAWQTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-5-8(2)6-9(3)10(4)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine?
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine has a molecular weight of 223.28 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine is sourced from PubChem (CID 143513257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).