(5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine

C10H17F2NO — CID 143077023

IUPAC(5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine
SMILESC=CC(F)(F)C(N)/C(=C/CC)OCC
InChIInChI=1S/C10H17F2NO/c1-4-7-8(14-6-3)9(13)10(11,12)5-2/h5,7,9H,2,4,6,13H2,1,3H3/b8-7-
InChIKeyVWYRRQNNWJAXSI-FPLPWBNLSA-N
MW205.25 g/mol
LogP2.47
Rot. Bonds6

About (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine

(5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine (PubChem CID 143077023) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine.

Molecular Properties

Compound Name(5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine
PubChem CID143077023
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine
SMILESC=CC(F)(F)C(N)/C(=C/CC)OCC
InChIInChI=1S/C10H17F2NO/c1-4-7-8(14-6-3)9(13)10(11,12)5-2/h5,7,9H,2,4,6,13H2,1,3H3/b8-7-
InChIKeyVWYRRQNNWJAXSI-FPLPWBNLSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
ethane;(5Z)-5-ethoxy-3,3-difluoroocta-1,5,7-trien-4-amine;fluoroethane;(Z)-2-methoxy-3-methylpent-2-en-1-amine
CID 142810449
ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine;fluoroethane;2-methoxy-3-methylbut-2-en-1-amine
CID 142856904
3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
ethane;(Z)-5-ethoxy-3,3-difluoronon-5-en-8-yn-4-amine
CID 142883593
ethane;(5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine;2-ethoxy-3-methylbut-2-en-1-amine;fluoroethane
CID 143077022
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)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 102649052

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine?
The IUPAC name of (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine (CID 143077023) is (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine.
What is the SMILES notation for (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine?
The canonical SMILES for (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine is C=CC(F)(F)C(N)/C(=C/CC)OCC.
What is the InChIKey of (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine?
The InChIKey is VWYRRQNNWJAXSI-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-4-7-8(14-6-3)9(13)10(11,12)5-2/h5,7,9H,2,4,6,13H2,1,3H3/b8-7-.
What are the key properties of (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine?
(5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine has a molecular weight of 205.25 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethoxy-3,3-difluoroocta-1,5-dien-4-amine is sourced from PubChem (CID 143077023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).