3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol

C17H22FNO — CID 143733259

IUPAC3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol
SMILESC=C(/N=C/C(=C\C)CC)c1ccc(CCCO)cc1F
InChIInChI=1S/C17H22FNO/c1-4-14(5-2)12-19-13(3)16-9-8-15(7-6-10-20)11-17(16)18/h4,8-9,11-12,20H,3,5-7,10H2,1-2H3/b14-4-,19-12+
InChIKeyRVWAIZOMHHZGAF-CZCGHWRWSA-N
MW275.37 g/mol
LogP4.15
Rot. Bonds7

About 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol

3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol (PubChem CID 143733259) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol
PubChem CID143733259
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol
SMILESC=C(/N=C/C(=C\C)CC)c1ccc(CCCO)cc1F
InChIInChI=1S/C17H22FNO/c1-4-14(5-2)12-19-13(3)16-9-8-15(7-6-10-20)11-17(16)18/h4,8-9,11-12,20H,3,5-7,10H2,1-2H3/b14-4-,19-12+
InChIKeyRVWAIZOMHHZGAF-CZCGHWRWSA-N
XLogP4.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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[6-(4-fluorophenyl)-3-methyl-4-propan-2-yl-4H-pyridin-3-yl]methanol
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(4Z,6Z)-4-[4-(4-butylphenyl)butyliminomethyl]octa-4,6-dien-1-ol
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2-[[4-(1-Amino-3-methyliminoprop-1-enyl)phenyl]methyl]propane-1,3-diol
CID 173699101
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3-[(4-Methylphenyl)methylideneamino]-3-phenylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol?
The IUPAC name of 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol (CID 143733259) is 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol?
The canonical SMILES for 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol is C=C(/N=C/C(=C\C)CC)c1ccc(CCCO)cc1F.
What is the InChIKey of 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol?
The InChIKey is RVWAIZOMHHZGAF-CZCGHWRWSA-N. The full InChI is InChI=1S/C17H22FNO/c1-4-14(5-2)12-19-13(3)16-9-8-15(7-6-10-20)11-17(16)18/h4,8-9,11-12,20H,3,5-7,10H2,1-2H3/b14-4-,19-12+.
What are the key properties of 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol?
3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol has a molecular weight of 275.37 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol is sourced from PubChem (CID 143733259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).