(4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

C18H15F6N3O2 — CID 162613366

IUPAC(4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESCc1cnc(Oc2ccc(F)c([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)c(F)c1
InChIInChI=1S/C18H15F6N3O2/c1-9-4-13(21)15(26-7-9)28-10-2-3-12(20)11(5-10)17(8-19)6-14(18(22,23)24)29-16(25)27-17/h2-5,7,14H,6,8H2,1H3,(H2,25,27)/t14-,17+/m0/s1
InChIKeyNFIVIGQRBHBGIC-WMLDXEAASA-N
MW419.33 g/mol
LogP4.29
Rot. Bonds4

About (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

(4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 162613366) has the molecular formula C18H15F6N3O2 and a molecular weight of 419.33 g/mol. Its IUPAC name is (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID162613366
Molecular FormulaC18H15F6N3O2
Molecular Weight419.33 g/mol
Exact Mass419.11
IUPAC Name(4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESCc1cnc(Oc2ccc(F)c([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)c(F)c1
InChIInChI=1S/C18H15F6N3O2/c1-9-4-13(21)15(26-7-9)28-10-2-3-12(20)11(5-10)17(8-19)6-14(18(22,23)24)29-16(25)27-17/h2-5,7,14H,6,8H2,1H3,(H2,25,27)/t14-,17+/m0/s1
InChIKeyNFIVIGQRBHBGIC-WMLDXEAASA-N
XLogP4.29
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (CID 162613366) is (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is Cc1cnc(Oc2ccc(F)c([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)c(F)c1.
What is the InChIKey of (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is NFIVIGQRBHBGIC-WMLDXEAASA-N. The full InChI is InChI=1S/C18H15F6N3O2/c1-9-4-13(21)15(26-7-9)28-10-2-3-12(20)11(5-10)17(8-19)6-14(18(22,23)24)29-16(25)27-17/h2-5,7,14H,6,8H2,1H3,(H2,25,27)/t14-,17+/m0/s1.
What are the key properties of (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
(4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 419.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-[2-fluoro-5-[(3-fluoro-5-methyl-2-pyridinyl)oxy]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 162613366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).