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

C13H23F2NO — CID 142883593

IUPACethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
SMILESC#CC/C=C(\OCC)C(N)C(F)(F)CC.CC
InChIInChI=1S/C11H17F2NO.C2H6/c1-4-7-8-9(15-6-3)10(14)11(12,13)5-2;1-2/h1,8,10H,5-7,14H2,2-3H3;1-2H3/b9-8-;
InChIKeyJFGABTQDASCPOL-UOQXYWCXSA-N
MW247.33 g/mol
LogP3.33
Rot. Bonds6

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

ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine (PubChem CID 142883593) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine.

Molecular Properties

Compound Nameethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
PubChem CID142883593
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Nameethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
SMILESC#CC/C=C(\OCC)C(N)C(F)(F)CC.CC
InChIInChI=1S/C11H17F2NO.C2H6/c1-4-7-8-9(15-6-3)10(14)11(12,13)5-2;1-2/h1,8,10H,5-7,14H2,2-3H3;1-2H3/b9-8-;
InChIKeyJFGABTQDASCPOL-UOQXYWCXSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.33
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;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)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
CID 142883594
(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 ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine?
The IUPAC name of ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine (CID 142883593) is ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine.
What is the SMILES notation for ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine?
The canonical SMILES for ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine is C#CC/C=C(\OCC)C(N)C(F)(F)CC.CC.
What is the InChIKey of ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine?
The InChIKey is JFGABTQDASCPOL-UOQXYWCXSA-N. The full InChI is InChI=1S/C11H17F2NO.C2H6/c1-4-7-8-9(15-6-3)10(14)11(12,13)5-2;1-2/h1,8,10H,5-7,14H2,2-3H3;1-2H3/b9-8-;.
What are the key properties of ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine?
ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine has a molecular weight of 247.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine is sourced from PubChem (CID 142883593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).