5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine

C8H15F2NO — CID 103149207

IUPAC5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine
SMILESC=CC(CCOCC(F)F)NC
InChIInChI=1S/C8H15F2NO/c1-3-7(11-2)4-5-12-6-8(9)10/h3,7-8,11H,1,4-6H2,2H3
InChIKeyWNYMJBCZBJQXSH-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.43
Rot. Bonds7

About 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine

5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine (PubChem CID 103149207) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine
PubChem CID103149207
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine
SMILESC=CC(CCOCC(F)F)NC
InChIInChI=1S/C8H15F2NO/c1-3-7(11-2)4-5-12-6-8(9)10/h3,7-8,11H,1,4-6H2,2H3
InChIKeyWNYMJBCZBJQXSH-UHFFFAOYSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.43
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'}

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Related Compounds

N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
CID 89088323
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-amine
CID 103148009
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
N-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148280
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148339
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148352
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486
N-ethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148517
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148571

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine (CID 103149207) is 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine is C=CC(CCOCC(F)F)NC.
What is the InChIKey of 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine?
The InChIKey is WNYMJBCZBJQXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-3-7(11-2)4-5-12-6-8(9)10/h3,7-8,11H,1,4-6H2,2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine?
5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine has a molecular weight of 179.21 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine is sourced from PubChem (CID 103149207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).