4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline

C12H16FNO — CID 139377476

IUPAC4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline
SMILESC/C=C(\Oc1cc(F)ccc1N)C(C)C
InChIInChI=1S/C12H16FNO/c1-4-11(8(2)3)15-12-7-9(13)5-6-10(12)14/h4-8H,14H2,1-3H3/b11-4-
InChIKeyUNWFMESHWGLQRV-WCIBSUBMSA-N
MW209.26 g/mol
LogP3.35
Rot. Bonds3

About 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline

4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline (PubChem CID 139377476) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline.

Molecular Properties

Compound Name4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline
PubChem CID139377476
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline
SMILESC/C=C(\Oc1cc(F)ccc1N)C(C)C
InChIInChI=1S/C12H16FNO/c1-4-11(8(2)3)15-12-7-9(13)5-6-10(12)14/h4-8H,14H2,1-3H3/b11-4-
InChIKeyUNWFMESHWGLQRV-WCIBSUBMSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-fluorophenyl) 2-hydroxyacetate
CID 117095582
4-fluoro-2-(4-methylpentoxy)aniline
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CID 90032210
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
(2-amino-5-fluorophenoxy)boronic acid
CID 142800926
5-fluoro-2-(2-methylpropyl)aniline
CID 105433538
2-(2-amino-5-fluorophenoxy)propane-1,3-diol
CID 117095564
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
CID 58413286
4-fluoro-2-octoxyaniline
CID 43128998
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline?
The IUPAC name of 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline (CID 139377476) is 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline.
What is the SMILES notation for 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline?
The canonical SMILES for 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline is C/C=C(\Oc1cc(F)ccc1N)C(C)C.
What is the InChIKey of 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline?
The InChIKey is UNWFMESHWGLQRV-WCIBSUBMSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-11(8(2)3)15-12-7-9(13)5-6-10(12)14/h4-8H,14H2,1-3H3/b11-4-.
What are the key properties of 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline?
4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline has a molecular weight of 209.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline is sourced from PubChem (CID 139377476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).