1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine

C11H19F2NO — CID 103149544

IUPAC1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine
SMILESCC#CCC(CCOCC(F)F)NCC
InChIInChI=1S/C11H19F2NO/c1-3-5-6-10(14-4-2)7-8-15-9-11(12)13/h10-11,14H,4,6-9H2,1-2H3
InChIKeyIGFKHHSCRZBSAJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.05
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine

1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine (PubChem CID 103149544) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine
PubChem CID103149544
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine
SMILESCC#CCC(CCOCC(F)F)NCC
InChIInChI=1S/C11H19F2NO/c1-3-5-6-10(14-4-2)7-8-15-9-11(12)13/h10-11,14H,4,6-9H2,1-2H3
InChIKeyIGFKHHSCRZBSAJ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 63225984
3-fluoro-N-propan-2-yloxan-4-amine
CID 124162760
(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine
CID 153498427
N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine
CID 157180888
N-methyloxan-4-amine;2,2,2-trifluoroethanamine
CID 157303035
(3R,4S)-3-fluoro-N-propan-2-yloxan-4-amine
CID 169842784
2,2-difluoro-N-propan-2-yloxan-4-amine
CID 169874917
N-propan-2-ylpropan-1-amine;1-(trifluoromethoxy)pentane
CID 172334924
N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 55095367
1,1,1-trifluoro-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 55095420
N-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490700

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine (CID 103149544) is 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine is CC#CCC(CCOCC(F)F)NCC.
What is the InChIKey of 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine?
The InChIKey is IGFKHHSCRZBSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-3-5-6-10(14-4-2)7-8-15-9-11(12)13/h10-11,14H,4,6-9H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine?
1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine has a molecular weight of 219.27 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine is sourced from PubChem (CID 103149544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).