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

C10H16FNO — CID 143933261

IUPAC(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)CCNCF
InChIInChI=1S/C10H16FNO/c1-3-10(5-4-9(2)13)6-7-12-8-11/h3-5,12-13H,2,6-8H2,1H3/b5-4-,10-3+
InChIKeyOZIIAVOCNRLZEM-MZTCIMCMSA-N
MW185.24 g/mol
LogP2.47
Rot. Bonds6

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

(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol (PubChem CID 143933261) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
PubChem CID143933261
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)CCNCF
InChIInChI=1S/C10H16FNO/c1-3-10(5-4-9(2)13)6-7-12-8-11/h3-5,12-13H,2,6-8H2,1H3/b5-4-,10-3+
InChIKeyOZIIAVOCNRLZEM-MZTCIMCMSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.47
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(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
ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
CID 143933260
ethane;(3E)-7-(methylamino)-5-methylidenehepta-1,3-diene-2,3-diol
CID 144546705

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol?
The IUPAC name of (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol (CID 143933261) is (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol?
The canonical SMILES for (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C/C)CCNCF.
What is the InChIKey of (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol?
The InChIKey is OZIIAVOCNRLZEM-MZTCIMCMSA-N. The full InChI is InChI=1S/C10H16FNO/c1-3-10(5-4-9(2)13)6-7-12-8-11/h3-5,12-13H,2,6-8H2,1H3/b5-4-,10-3+.
What are the key properties of (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol?
(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol has a molecular weight of 185.24 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol is sourced from PubChem (CID 143933261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).