ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane

C11H26FNO — CID 142883613

IUPACethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane
SMILESCC.CC/C=C(/CN)OCC.CCF
InChIInChI=1S/C7H15NO.C2H5F.C2H6/c1-3-5-7(6-8)9-4-2;1-2-3;1-2/h5H,3-4,6,8H2,1-2H3;2H2,1H3;1-2H3/b7-5-;;
InChIKeyKCGQBRFJZSJFSV-MWKZNRQPSA-N
MW207.33 g/mol
LogP3.28
Rot. Bonds4

About ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane

ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane (PubChem CID 142883613) has the molecular formula C11H26FNO and a molecular weight of 207.33 g/mol. Its IUPAC name is ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane.

Molecular Properties

Compound Nameethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane
PubChem CID142883613
Molecular FormulaC11H26FNO
Molecular Weight207.33 g/mol
Exact Mass207.20
IUPAC Nameethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane
SMILESCC.CC/C=C(/CN)OCC.CCF
InChIInChI=1S/C7H15NO.C2H5F.C2H6/c1-3-5-7(6-8)9-4-2;1-2-3;1-2/h5H,3-4,6,8H2,1-2H3;2H2,1H3;1-2H3/b7-5-;;
InChIKeyKCGQBRFJZSJFSV-MWKZNRQPSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-fluoro-2-methyl-3,4-dihydro-2H-pyran-6-yl]methanamine
CID 60076854
ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810444
(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
3,4-dihydro-2H-pyran-6-ylmethanamine;ethane
CID 142274774
ethane;fluoroethane;(Z)-2-methoxy-4-methylpent-2-en-1-amine
CID 142810077
(Z)-2-ethoxypent-2-en-1-amine;methylcyclopropane
CID 142810125
(Z)-2-ethoxypent-2-en-1-amine
CID 142810126
ethane;2-methylpropane;(Z)-2-prop-1-en-2-yloxypent-2-en-1-amine
CID 142810190
acetylene;(Z)-2-ethoxybut-2-en-1-amine;fluoroethane
CID 142810259
(Z,3R)-4-ethoxyhex-4-en-3-amine
CID 142810338
(Z)-2-ethoxy-4-methylpent-2-en-1-amine;methylcyclopropane
CID 143080229

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane?
The IUPAC name of ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane (CID 142883613) is ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane.
What is the SMILES notation for ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane?
The canonical SMILES for ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane is CC.CC/C=C(/CN)OCC.CCF.
What is the InChIKey of ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane?
The InChIKey is KCGQBRFJZSJFSV-MWKZNRQPSA-N. The full InChI is InChI=1S/C7H15NO.C2H5F.C2H6/c1-3-5-7(6-8)9-4-2;1-2-3;1-2/h5H,3-4,6,8H2,1-2H3;2H2,1H3;1-2H3/b7-5-;;.
What are the key properties of ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane?
ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane has a molecular weight of 207.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethoxypent-2-en-1-amine;fluoroethane is sourced from PubChem (CID 142883613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).