(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one

C14H16ClFN2O2 — CID 165133735

IUPAC(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one
SMILESCC1(C)CNC[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12
InChIInChI=1S/C14H16ClFN2O2/c1-13(2)5-14(7-17-6-13)10-9(18-12(19)20-14)4-3-8(15)11(10)16/h3-4,17H,5-7H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyJVIGTUDTDNQDHY-AWEZNQCLSA-N
MW298.75 g/mol
LogP3.26
Rot. Bonds

About (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one

(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one (PubChem CID 165133735) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one.

Molecular Properties

Compound Name(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one
PubChem CID165133735
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one
SMILESCC1(C)CNC[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12
InChIInChI=1S/C14H16ClFN2O2/c1-13(2)5-14(7-17-6-13)10-9(18-12(19)20-14)4-3-8(15)11(10)16/h3-4,17H,5-7H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyJVIGTUDTDNQDHY-AWEZNQCLSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one?
The IUPAC name of (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one (CID 165133735) is (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one.
What is the SMILES notation for (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one?
The canonical SMILES for (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one is CC1(C)CNC[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12.
What is the InChIKey of (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one?
The InChIKey is JVIGTUDTDNQDHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-13(2)5-14(7-17-6-13)10-9(18-12(19)20-14)4-3-8(15)11(10)16/h3-4,17H,5-7H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one?
(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one has a molecular weight of 298.75 g/mol, XLogP of 3.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one is sourced from PubChem (CID 165133735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).