(3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide

C9H10FNO2 — CID 162311722

IUPAC(3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
SMILESC=C(C)c1c(F)cccc1[NH+]=O.[OH-]
InChIInChI=1S/C9H8FNO.H2O/c1-6(2)9-7(10)4-3-5-8(9)11-12;/h3-5H,1H2,2H3;1H2
InChIKeyYYOYQRSPGATQRW-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.16
Rot. Bonds2

About (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide

(3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide (PubChem CID 162311722) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide.

Molecular Properties

Compound Name(3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
PubChem CID162311722
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
SMILESC=C(C)c1c(F)cccc1[NH+]=O.[OH-]
InChIInChI=1S/C9H8FNO.H2O/c1-6(2)9-7(10)4-3-5-8(9)11-12;/h3-5H,1H2,2H3;1H2
InChIKeyYYOYQRSPGATQRW-UHFFFAOYSA-N
XLogP1.16
TPSA61.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide?
The IUPAC name of (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide (CID 162311722) is (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide.
What is the SMILES notation for (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide?
The canonical SMILES for (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide is C=C(C)c1c(F)cccc1[NH+]=O.[OH-].
What is the InChIKey of (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide?
The InChIKey is YYOYQRSPGATQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO.H2O/c1-6(2)9-7(10)4-3-5-8(9)11-12;/h3-5H,1H2,2H3;1H2.
What are the key properties of (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide?
(3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide has a molecular weight of 183.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide is sourced from PubChem (CID 162311722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).