(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine

C11H17F2NO — CID 142883594

IUPAC(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
SMILESC#CC/C=C(\OCC)C(N)C(F)(F)CC
InChIInChI=1S/C11H17F2NO/c1-4-7-8-9(15-6-3)10(14)11(12,13)5-2/h1,8,10H,5-7,14H2,2-3H3/b9-8-
InChIKeyBCZZUAYZDVISKK-HJWRWDBZSA-N
MW217.26 g/mol
LogP2.30
Rot. Bonds6

About (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine

(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine (PubChem CID 142883594) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine.

Molecular Properties

Compound Name(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
PubChem CID142883594
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
SMILESC#CC/C=C(\OCC)C(N)C(F)(F)CC
InChIInChI=1S/C11H17F2NO/c1-4-7-8-9(15-6-3)10(14)11(12,13)5-2/h1,8,10H,5-7,14H2,2-3H3/b9-8-
InChIKeyBCZZUAYZDVISKK-HJWRWDBZSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine
CID 142810124
ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810444
ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
CID 142883593
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(2,3-Dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine
CID 102651936
(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
CID 143076621
(5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine
CID 143077023
4,4,4-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine
CID 154550614

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine?
The IUPAC name of (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine (CID 142883594) is (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine.
What is the SMILES notation for (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine?
The canonical SMILES for (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine is C#CC/C=C(\OCC)C(N)C(F)(F)CC.
What is the InChIKey of (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine?
The InChIKey is BCZZUAYZDVISKK-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-4-7-8-9(15-6-3)10(14)11(12,13)5-2/h1,8,10H,5-7,14H2,2-3H3/b9-8-.
What are the key properties of (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine?
(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine has a molecular weight of 217.26 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine is sourced from PubChem (CID 142883594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).