2-fluoro-4-(hex-5-en-2-ylamino)phenol

C12H16FNO — CID 104655724

IUPAC2-fluoro-4-(hex-5-en-2-ylamino)phenol
SMILESC=CCCC(C)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H16FNO/c1-3-4-5-9(2)14-10-6-7-12(15)11(13)8-10/h3,6-9,14-15H,1,4-5H2,2H3
InChIKeyMYZRKOVJMZPSJB-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.30
Rot. Bonds5

About 2-fluoro-4-(hex-5-en-2-ylamino)phenol

2-fluoro-4-(hex-5-en-2-ylamino)phenol (PubChem CID 104655724) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-4-(hex-5-en-2-ylamino)phenol.

Molecular Properties

Compound Name2-fluoro-4-(hex-5-en-2-ylamino)phenol
PubChem CID104655724
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-4-(hex-5-en-2-ylamino)phenol
SMILESC=CCCC(C)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H16FNO/c1-3-4-5-9(2)14-10-6-7-12(15)11(13)8-10/h3,6-9,14-15H,1,4-5H2,2H3
InChIKeyMYZRKOVJMZPSJB-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trifluoro-N-hex-5-en-2-ylaniline
CID 104655698
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
[3-(hex-5-en-2-ylamino)phenyl]methanol
CID 104655504
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
CID 107270538
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
N-hex-5-en-2-yl-1-benzothiophen-5-amine
CID 104655467

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hex-5-en-2-ylamino)phenol?
The IUPAC name of 2-fluoro-4-(hex-5-en-2-ylamino)phenol (CID 104655724) is 2-fluoro-4-(hex-5-en-2-ylamino)phenol.
What is the SMILES notation for 2-fluoro-4-(hex-5-en-2-ylamino)phenol?
The canonical SMILES for 2-fluoro-4-(hex-5-en-2-ylamino)phenol is C=CCCC(C)Nc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(hex-5-en-2-ylamino)phenol?
The InChIKey is MYZRKOVJMZPSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-4-5-9(2)14-10-6-7-12(15)11(13)8-10/h3,6-9,14-15H,1,4-5H2,2H3.
What are the key properties of 2-fluoro-4-(hex-5-en-2-ylamino)phenol?
2-fluoro-4-(hex-5-en-2-ylamino)phenol has a molecular weight of 209.26 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hex-5-en-2-ylamino)phenol is sourced from PubChem (CID 104655724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).