NFIVIGQRBHBGIC-WMLDXEAASA-N

Name: NFIVIGQRBHBGIC-WMLDXEAASA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₅F₆N₃O₂ — CID 162613366

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 NFIVIGQRBHBGIC-WMLDXEAASA-N

NFIVIGQRBHBGIC-WMLDXEAASA-N (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	NFIVIGQRBHBGIC-WMLDXEAASA-N
PubChem CID	162613366
Molecular Formula	C₁₈H₁₅F₆N₃O₂
Molecular Weight	419.33 g/mol
Exact Mass	419.11
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
SMILES	Cc1cnc(Oc2ccc(F)c([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)c(F)c1
InChI	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
InChIKey	NFIVIGQRBHBGIC-WMLDXEAASA-N
XLogP	4.29
TPSA	69.73 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.33
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of NFIVIGQRBHBGIC-WMLDXEAASA-N?

The IUPAC name of NFIVIGQRBHBGIC-WMLDXEAASA-N (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 NFIVIGQRBHBGIC-WMLDXEAASA-N?

The canonical SMILES for NFIVIGQRBHBGIC-WMLDXEAASA-N 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 NFIVIGQRBHBGIC-WMLDXEAASA-N?

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 NFIVIGQRBHBGIC-WMLDXEAASA-N?

NFIVIGQRBHBGIC-WMLDXEAASA-N 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 NFIVIGQRBHBGIC-WMLDXEAASA-N is sourced from PubChem (CID 162613366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 162613366 — identifiers, structure, computed properties (public domain)

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