2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine

C39H28F6N2O2 — CID 141340310

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine
SMILESFC(F)(F)C(C1Oc2ccccc2CN1c1cccc2ccccc12)(C1Oc2ccccc2CN1c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C39H28F6N2O2/c40-38(41,42)37(39(43,44)45,35-46(23-27-13-3-7-21-33(27)48-35)31-19-9-15-25-11-1-5-17-29(25)31)36-47(24-28-14-4-8-22-34(28)49-36)32-20-10-16-26-12-2-6-18-30(26)32/h1-22,35-36H,23-24H2
InChIKeyDGQHIMPBWWVGDB-UHFFFAOYSA-N
MW670.65 g/mol
LogP10.25
Rot. Bonds4

About 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine

2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine (PubChem CID 141340310) has the molecular formula C39H28F6N2O2 and a molecular weight of 670.65 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine
PubChem CID141340310
Molecular FormulaC39H28F6N2O2
Molecular Weight670.65 g/mol
Exact Mass670.21
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine
SMILESFC(F)(F)C(C1Oc2ccccc2CN1c1cccc2ccccc12)(C1Oc2ccccc2CN1c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C39H28F6N2O2/c40-38(41,42)37(39(43,44)45,35-46(23-27-13-3-7-21-33(27)48-35)31-19-9-15-25-11-1-5-17-29(25)31)36-47(24-28-14-4-8-22-34(28)49-36)32-20-10-16-26-12-2-6-18-30(26)32/h1-22,35-36H,23-24H2
InChIKeyDGQHIMPBWWVGDB-UHFFFAOYSA-N
XLogP10.25
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.65
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine with MolForge

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Related Compounds

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CID 86337138
12,18,39-tris(naphthalen-1-ylmethyl)-4,26,31-trioxa-1,12,15,18,39-pentazapentacyclo[13.13.13.05,10.020,25.032,37]hentetraconta-5,7,9,20,22,24,32,34,36-nonaene
CID 102023502
(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 67245808
2-ethenyl-1-naphthalen-1-ylpyrrolidine
CID 164888024
2-methyl-1-naphthalen-1-yl-5-propan-2-ylpiperazine
CID 64952275
(1R)-N-[2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]ethyl]-1-naphthalen-1-ylethanamine
CID 66549119
1-(1-chloro-2,2,3,3-tetrafluoropropyl)naphthalene
CID 79660379
(5-cyclopropyl-1-naphthalen-1-yltriazol-4-yl)methanol
CID 82199740
(2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine
CID 134915580
1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 138714590
5-iodo-6H-benzo[b][1,4]benzoxazepine
CID 142383988

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine (CID 141340310) is 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine is FC(F)(F)C(C1Oc2ccccc2CN1c1cccc2ccccc12)(C1Oc2ccccc2CN1c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is DGQHIMPBWWVGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28F6N2O2/c40-38(41,42)37(39(43,44)45,35-46(23-27-13-3-7-21-33(27)48-35)31-19-9-15-25-11-1-5-17-29(25)31)36-47(24-28-14-4-8-22-34(28)49-36)32-20-10-16-26-12-2-6-18-30(26)32/h1-22,35-36H,23-24H2.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine?
2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 670.65 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-(3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazin-2-yl)propan-2-yl]-3-naphthalen-1-yl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 141340310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).