(5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone

C11H12FNO3 — CID 126772952

IUPAC(5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCCOC1
InChIInChI=1S/C11H12FNO3/c12-8-2-3-10(14)9(6-8)11(15)13-4-1-5-16-7-13/h2-3,6,14H,1,4-5,7H2
InChIKeyTUCCACCRPNUZHR-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.35
Rot. Bonds1

About (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone (PubChem CID 126772952) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone
PubChem CID126772952
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCCOC1
InChIInChI=1S/C11H12FNO3/c12-8-2-3-10(14)9(6-8)11(15)13-4-1-5-16-7-13/h2-3,6,14H,1,4-5,7H2
InChIKeyTUCCACCRPNUZHR-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dihydroxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 107722952
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(4-fluoro-2-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130766014
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
4-(5-fluoro-2-hydroxybenzoyl)-1-methyl-1,4-diazepan-2-one
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(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 113281589
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone (CID 126772952) is (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone is O=C(c1cc(F)ccc1O)N1CCCOC1.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone?
The InChIKey is TUCCACCRPNUZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-2-3-10(14)9(6-8)11(15)13-4-1-5-16-7-13/h2-3,6,14H,1,4-5,7H2.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone has a molecular weight of 225.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 126772952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).