(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]

C20H18F3NO — CID 134954194

IUPAC(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]
SMILESFC(F)(F)[C@H]1CCc2ccccc2[C@@]12CCN=C(c1ccccc1)O2
InChIInChI=1S/C20H18F3NO/c21-20(22,23)17-11-10-14-6-4-5-9-16(14)19(17)12-13-24-18(25-19)15-7-2-1-3-8-15/h1-9,17H,10-13H2/t17-,19-/m0/s1
InChIKeyWNIGAMWUKYRRAQ-HKUYNNGSSA-N
MW345.36 g/mol
LogP4.87
Rot. Bonds1

About (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]

(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine] (PubChem CID 134954194) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine].

Molecular Properties

Compound Name(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]
PubChem CID134954194
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]
SMILESFC(F)(F)[C@H]1CCc2ccccc2[C@@]12CCN=C(c1ccccc1)O2
InChIInChI=1S/C20H18F3NO/c21-20(22,23)17-11-10-14-6-4-5-9-16(14)19(17)12-13-24-18(25-19)15-7-2-1-3-8-15/h1-9,17H,10-13H2/t17-,19-/m0/s1
InChIKeyWNIGAMWUKYRRAQ-HKUYNNGSSA-N
XLogP4.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-fluoro-2'-(4-iodophenyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665132
(3S,4R)-3-fluoro-2'-naphthalen-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665170
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 122364929
2,6-Diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
CID 132602178
(3S,4R)-2'-methyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954189
(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
CID 135065057
(4aS,10bR)-4a-fluoro-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 154714290
(4aS,10bR)-4a-fluoro-10-methyl-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 176438720
6-Fluoro-6-[(4-methylphenyl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851489
(5S,6S)-6-fluoro-5-phenyl-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-oxazine
CID 178252043
2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine
CID 54340703
2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine
CID 54416311

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]?
The IUPAC name of (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine] (CID 134954194) is (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine].
What is the SMILES notation for (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]?
The canonical SMILES for (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine] is FC(F)(F)[C@H]1CCc2ccccc2[C@@]12CCN=C(c1ccccc1)O2.
What is the InChIKey of (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]?
The InChIKey is WNIGAMWUKYRRAQ-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H18F3NO/c21-20(22,23)17-11-10-14-6-4-5-9-16(14)19(17)12-13-24-18(25-19)15-7-2-1-3-8-15/h1-9,17H,10-13H2/t17-,19-/m0/s1.
What are the key properties of (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]?
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine] has a molecular weight of 345.36 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine] is sourced from PubChem (CID 134954194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).