1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine

C17H19F2NO2 — CID 174820593

IUPAC1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
SMILESCC(C)=NO.Fc1ccccc1COCc1ccccc1F
InChIInChI=1S/C14H12F2O.C3H7NO/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16;1-3(2)4-5/h1-8H,9-10H2;5H,1-2H3
InChIKeyWOKCZCZZVRMNKZ-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.54
Rot. Bonds4

About 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine

1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine (PubChem CID 174820593) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine.

Molecular Properties

Compound Name1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
PubChem CID174820593
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC Name1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
SMILESCC(C)=NO.Fc1ccccc1COCc1ccccc1F
InChIInChI=1S/C14H12F2O.C3H7NO/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16;1-3(2)4-5/h1-8H,9-10H2;5H,1-2H3
InChIKeyWOKCZCZZVRMNKZ-UHFFFAOYSA-N
XLogP4.54
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483296
1-fluoro-2-(methoxymethoxymethyl)benzene
CID 10920940
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
3-[(2-fluorophenyl)methoxy]propan-1-ol
CID 23325115
[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
CID 43327857
1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
N-[(2-fluorophenyl)methoxy]-N-methylhydroxylamine
CID 172692702
2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine?
The IUPAC name of 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine (CID 174820593) is 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine.
What is the SMILES notation for 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine?
The canonical SMILES for 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine is CC(C)=NO.Fc1ccccc1COCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine?
The InChIKey is WOKCZCZZVRMNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O.C3H7NO/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16;1-3(2)4-5/h1-8H,9-10H2;5H,1-2H3.
What are the key properties of 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine?
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine has a molecular weight of 307.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine is sourced from PubChem (CID 174820593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).