[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol

C10H16FNO — CID 144509395

IUPAC[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol
SMILESCC/C=C\C(=C/C=C/F)CNCO
InChIInChI=1S/C10H16FNO/c1-2-3-5-10(6-4-7-11)8-12-9-13/h3-7,12-13H,2,8-9H2,1H3/b5-3-,7-4+,10-6+
InChIKeyFQZLINHDVQHDGO-YPXAAESQSA-N
MW185.24 g/mol
LogP1.90
Rot. Bonds6

About [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol

[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol (PubChem CID 144509395) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol.

Molecular Properties

Compound Name[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol
PubChem CID144509395
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol
SMILESCC/C=C\C(=C/C=C/F)CNCO
InChIInChI=1S/C10H16FNO/c1-2-3-5-10(6-4-7-11)8-12-9-13/h3-7,12-13H,2,8-9H2,1H3/b5-3-,7-4+,10-6+
InChIKeyFQZLINHDVQHDGO-YPXAAESQSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine
CID 142956656
[[(2E,4E)-2-ethenyl-5-fluoropenta-2,4-dienyl]amino]methanol
CID 144033171
[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol
CID 20609703
(2,6-Dimethylhepta-2,6-dienylamino)methanol
CID 73685398
(3-Methylideneocta-4,6-dien-2-ylamino)methanol
CID 123793937
(Cyclohexa-1,5-dien-1-ylmethylamino)methanol
CID 141890462
ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 142239852
ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine
CID 142918885
ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 143457518
ethanol;(E,2Z)-2-ethylidene-N-methylhex-3-en-1-amine
CID 143654275
[[(2Z,4Z)-2-methylhexa-2,4-dienyl]amino]methanol
CID 144361112
[[(2E)-2-ethenylpenta-2,4-dienyl]amino]methanol
CID 145518166

Frequently Asked Questions

What is the IUPAC name of [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol?
The IUPAC name of [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol (CID 144509395) is [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol.
What is the SMILES notation for [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol?
The canonical SMILES for [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol is CC/C=C\C(=C/C=C/F)CNCO.
What is the InChIKey of [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol?
The InChIKey is FQZLINHDVQHDGO-YPXAAESQSA-N. The full InChI is InChI=1S/C10H16FNO/c1-2-3-5-10(6-4-7-11)8-12-9-13/h3-7,12-13H,2,8-9H2,1H3/b5-3-,7-4+,10-6+.
What are the key properties of [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol?
[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol has a molecular weight of 185.24 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol is sourced from PubChem (CID 144509395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).