N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine

C10H12FNOS — CID 142399866

IUPACN-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine
SMILESC=CCOc1cc(CNS)ccc1F
InChIInChI=1S/C10H12FNOS/c1-2-5-13-10-6-8(7-12-14)3-4-9(10)11/h2-4,6,12,14H,1,5,7H2
InChIKeyWFNBHYXOXMTTJN-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.32
Rot. Bonds5

About N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine

N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine (PubChem CID 142399866) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine
PubChem CID142399866
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC NameN-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine
SMILESC=CCOc1cc(CNS)ccc1F
InChIInChI=1S/C10H12FNOS/c1-2-5-13-10-6-8(7-12-14)3-4-9(10)11/h2-4,6,12,14H,1,5,7H2
InChIKeyWFNBHYXOXMTTJN-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-prop-2-enoxyphenol
CID 11159544
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane
CID 143428154
(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
CID 114674576
methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
CID 67198367
1-fluoro-2-(2-methylpropoxy)-4-prop-2-enylbenzene
CID 91658243
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
CID 11403025
N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 60883199
N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 63379238
N-[[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319634
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine?
The IUPAC name of N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine (CID 142399866) is N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine.
What is the SMILES notation for N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine?
The canonical SMILES for N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine is C=CCOc1cc(CNS)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine?
The InChIKey is WFNBHYXOXMTTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-2-5-13-10-6-8(7-12-14)3-4-9(10)11/h2-4,6,12,14H,1,5,7H2.
What are the key properties of N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine?
N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine has a molecular weight of 213.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine is sourced from PubChem (CID 142399866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).