1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene

C10H10FNO2 — CID 84773332

IUPAC1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene
SMILESCC(CN=C=O)Oc1ccccc1F
InChIInChI=1S/C10H10FNO2/c1-8(6-12-7-13)14-10-5-3-2-4-9(10)11/h2-5,8H,6H2,1H3
InChIKeyZMANJIHFMMEGLS-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.93
Rot. Bonds4

About 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene

1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene (PubChem CID 84773332) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene.

Molecular Properties

Compound Name1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene
PubChem CID84773332
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene
SMILESCC(CN=C=O)Oc1ccccc1F
InChIInChI=1S/C10H10FNO2/c1-8(6-12-7-13)14-10-5-3-2-4-9(10)11/h2-5,8H,6H2,1H3
InChIKeyZMANJIHFMMEGLS-UHFFFAOYSA-N
XLogP1.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 111465552
2-(2-fluorophenoxy)propan-1-amine;hydrochloride
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CID 14766294
2-fluoro-6-(4-methylpentan-2-yloxy)benzonitrile
CID 79512851
1-(2-fluorophenoxy)ethanethiol
CID 166973393
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162
N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820650
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
CID 93219334
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene?
The IUPAC name of 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene (CID 84773332) is 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene.
What is the SMILES notation for 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene?
The canonical SMILES for 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene is CC(CN=C=O)Oc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene?
The InChIKey is ZMANJIHFMMEGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-8(6-12-7-13)14-10-5-3-2-4-9(10)11/h2-5,8H,6H2,1H3.
What are the key properties of 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene?
1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene has a molecular weight of 195.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene is sourced from PubChem (CID 84773332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).