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

C10H17F4NO — CID 89088323

IUPACN-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
SMILESC=CCCC(CCOC(F)(F)C(F)F)NC
InChIInChI=1S/C10H17F4NO/c1-3-4-5-8(15-2)6-7-16-10(13,14)9(11)12/h3,8-9,15H,1,4-7H2,2H3
InChIKeyMKPSCLMTUWKOBL-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.81
Rot. Bonds9

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

N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine (PubChem CID 89088323) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
PubChem CID89088323
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC NameN-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
SMILESC=CCCC(CCOC(F)(F)C(F)F)NC
InChIInChI=1S/C10H17F4NO/c1-3-4-5-8(15-2)6-7-16-10(13,14)9(11)12/h3,8-9,15H,1,4-7H2,2H3
InChIKeyMKPSCLMTUWKOBL-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine?
The IUPAC name of N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine (CID 89088323) is N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine.
What is the SMILES notation for N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine?
The canonical SMILES for N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine is C=CCCC(CCOC(F)(F)C(F)F)NC.
What is the InChIKey of N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine?
The InChIKey is MKPSCLMTUWKOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c1-3-4-5-8(15-2)6-7-16-10(13,14)9(11)12/h3,8-9,15H,1,4-7H2,2H3.
What are the key properties of N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine?
N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine has a molecular weight of 243.24 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine is sourced from PubChem (CID 89088323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).