N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine

C11H19F4NO — CID 103475640

IUPACN-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine
SMILESC=CCCCC(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C11H19F4NO/c1-3-4-5-6-9(16-2)7-17-8-11(14,15)10(12)13/h3,9-10,16H,1,4-8H2,2H3
InChIKeyGPQPFMWPBBTBOC-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.85
Rot. Bonds10

About N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine

N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine (PubChem CID 103475640) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine
PubChem CID103475640
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC NameN-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine
SMILESC=CCCCC(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C11H19F4NO/c1-3-4-5-6-9(16-2)7-17-8-11(14,15)10(12)13/h3,9-10,16H,1,4-8H2,2H3
InChIKeyGPQPFMWPBBTBOC-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine?
The IUPAC name of N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine (CID 103475640) is N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine.
What is the SMILES notation for N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine?
The canonical SMILES for N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine is C=CCCCC(COCC(F)(F)C(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine?
The InChIKey is GPQPFMWPBBTBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-3-4-5-6-9(16-2)7-17-8-11(14,15)10(12)13/h3,9-10,16H,1,4-8H2,2H3.
What are the key properties of N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine?
N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine has a molecular weight of 257.27 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine is sourced from PubChem (CID 103475640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).