(4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one

C7H12FNO2 — CID 134968378

IUPAC(4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one
SMILESCC[C@H](F)[C@H]1CCOC(=O)N1
InChIInChI=1S/C7H12FNO2/c1-2-5(8)6-3-4-11-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyWRIRRHDRIZXKIX-NTSWFWBYSA-N
MW161.18 g/mol
LogP1.23
Rot. Bonds2

About (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one

(4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one (PubChem CID 134968378) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one
PubChem CID134968378
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name(4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one
SMILESCC[C@H](F)[C@H]1CCOC(=O)N1
InChIInChI=1S/C7H12FNO2/c1-2-5(8)6-3-4-11-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyWRIRRHDRIZXKIX-NTSWFWBYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methyl-1,3-oxazinan-2-one
CID 118600767
(4S)-4-methyl-1,3-oxazinan-2-one
CID 177801697
4-(Fluoromethyl)-1,3-oxazinan-2-one
CID 118288677
(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one
CID 134968305
(4R)-4-propyl-1,3-oxazinan-2-one
CID 162410725
(4R)-4-ethyl-1,3-oxazinan-2-one
CID 162410726
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
4-Methyl-1,3-oxazinan-2-one
CID 12202794
4-Ethyl-6-methyl-1,3-oxazinan-2-one
CID 123927031
4-(2-Methylpropyl)-1,3-oxazinan-2-one
CID 131991507
3-aminohexyl N-butylcarbamate
CID 151177583
methyl N-(2-methyloxan-4-yl)carbamate
CID 103889470

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one (CID 134968378) is (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one is CC[C@H](F)[C@H]1CCOC(=O)N1.
What is the InChIKey of (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one?
The InChIKey is WRIRRHDRIZXKIX-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-5(8)6-3-4-11-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one?
(4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one has a molecular weight of 161.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 134968378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).