(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one

C10H10FNO2 — CID 130642910

IUPAC(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2cccc(F)c2)CCO1
InChIInChI=1S/C10H10FNO2/c11-8-3-1-2-7(6-8)9-4-5-14-10(13)12-9/h1-3,6,9H,4-5H2,(H,12,13)/t9-/m1/s1
InChIKeyDRAPDZBPEAGRKE-SECBINFHSA-N
MW195.19 g/mol
LogP2.00
Rot. Bonds1

About (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one

(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one (PubChem CID 130642910) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
PubChem CID130642910
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@@H](c2cccc(F)c2)CCO1
InChIInChI=1S/C10H10FNO2/c11-8-3-1-2-7(6-8)9-4-5-14-10(13)12-9/h1-3,6,9H,4-5H2,(H,12,13)/t9-/m1/s1
InChIKeyDRAPDZBPEAGRKE-SECBINFHSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
(4S)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185732
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171184954
(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484934
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one (CID 130642910) is (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one is O=C1N[C@@H](c2cccc(F)c2)CCO1.
What is the InChIKey of (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one?
The InChIKey is DRAPDZBPEAGRKE-SECBINFHSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-8-3-1-2-7(6-8)9-4-5-14-10(13)12-9/h1-3,6,9H,4-5H2,(H,12,13)/t9-/m1/s1.
What are the key properties of (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one?
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one has a molecular weight of 195.19 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 130642910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).