acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane

C10H20FNO — CID 142810259

IUPACacetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane
SMILESC#C.C/C=C(/CN)OCC.CCF
InChIInChI=1S/C6H13NO.C2H5F.C2H2/c1-3-6(5-7)8-4-2;1-2-3;1-2/h3H,4-5,7H2,1-2H3;2H2,1H3;1-2H/b6-3-;;
InChIKeyPMQPEYCLPMYGGY-OBEZLJEISA-N
MW189.27 g/mol
LogP2.11
Rot. Bonds3

About acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane

acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane (PubChem CID 142810259) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane.

Molecular Properties

Compound Nameacetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane
PubChem CID142810259
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Nameacetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane
SMILESC#C.C/C=C(/CN)OCC.CCF
InChIInChI=1S/C6H13NO.C2H5F.C2H2/c1-3-6(5-7)8-4-2;1-2-3;1-2/h3H,4-5,7H2,1-2H3;2H2,1H3;1-2H/b6-3-;;
InChIKeyPMQPEYCLPMYGGY-OBEZLJEISA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane?
The IUPAC name of acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane (CID 142810259) is acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane.
What is the SMILES notation for acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane?
The canonical SMILES for acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane is C#C.C/C=C(/CN)OCC.CCF.
What is the InChIKey of acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane?
The InChIKey is PMQPEYCLPMYGGY-OBEZLJEISA-N. The full InChI is InChI=1S/C6H13NO.C2H5F.C2H2/c1-3-6(5-7)8-4-2;1-2-3;1-2/h3H,4-5,7H2,1-2H3;2H2,1H3;1-2H/b6-3-;;.
What are the key properties of acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane?
acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane has a molecular weight of 189.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane is sourced from PubChem (CID 142810259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).