ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol

C12H20FNO — CID 143933260

IUPACethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
SMILESC=C.C=C(O)/C=C\C(=C/C)CCNCF
InChIInChI=1S/C10H16FNO.C2H4/c1-3-10(5-4-9(2)13)6-7-12-8-11;1-2/h3-5,12-13H,2,6-8H2,1H3;1-2H2/b5-4-,10-3+;
InChIKeyCJZWVMZBPMMTIM-MOPJUJGYSA-N
MW213.30 g/mol
LogP3.27
Rot. Bonds6

About ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol

ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol (PubChem CID 143933260) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol.

Molecular Properties

Compound Nameethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
PubChem CID143933260
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Nameethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
SMILESC=C.C=C(O)/C=C\C(=C/C)CCNCF
InChIInChI=1S/C10H16FNO.C2H4/c1-3-10(5-4-9(2)13)6-7-12-8-11;1-2/h3-5,12-13H,2,6-8H2,1H3;1-2H2/b5-4-,10-3+;
InChIKeyCJZWVMZBPMMTIM-MOPJUJGYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
CID 143933261
(1Z,3E)-1-(butylamino)-3-(trifluoromethyl)hexa-1,3,5-trien-2-ol
CID 145565307
(2Z,4Z)-6-methyl-5-[2-(methylamino)ethyl]hepta-2,4,6-triene-2,3-diol
CID 126729831
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944
(2E,4E,6E)-2-methyl-1-(methylamino)nona-2,4,6-trien-4-ol
CID 132044721
5-[2-(Methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
CID 142123446
cyclohepta-1,3,6-trien-1-ol;N-methylpropan-1-amine
CID 142206809
(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
CID 143258823
acetylene;(Z)-6-(methylamino)-4-methylidenehex-2-en-1-ol
CID 143258843
(3E,5Z)-4-[(1S)-1-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 143401875
ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol
CID 143929063
ethane;(3E)-7-(methylamino)-5-methylidenehepta-1,3-diene-2,3-diol
CID 144546705

Frequently Asked Questions

What is the IUPAC name of ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol?
The IUPAC name of ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol (CID 143933260) is ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol.
What is the SMILES notation for ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol?
The canonical SMILES for ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol is C=C.C=C(O)/C=C\C(=C/C)CCNCF.
What is the InChIKey of ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol?
The InChIKey is CJZWVMZBPMMTIM-MOPJUJGYSA-N. The full InChI is InChI=1S/C10H16FNO.C2H4/c1-3-10(5-4-9(2)13)6-7-12-8-11;1-2/h3-5,12-13H,2,6-8H2,1H3;1-2H2/b5-4-,10-3+;.
What are the key properties of ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol?
ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol has a molecular weight of 213.30 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol is sourced from PubChem (CID 143933260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).