4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine

C24H20F3NO2 — CID 142641197

IUPAC4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine
SMILESFC(F)(F)c1ccc(C2C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C24H20F3NO2/c25-24(26,27)17-7-5-16(6-8-17)22-10-9-20-18-3-1-2-4-19(18)21(15-23(20)30-22)28-11-13-29-14-12-28/h1-10,15,22H,11-14H2
InChIKeyQYQALOYDKRDTMJ-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.84
Rot. Bonds2

About 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine

4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine (PubChem CID 142641197) has the molecular formula C24H20F3NO2 and a molecular weight of 411.42 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine
PubChem CID142641197
Molecular FormulaC24H20F3NO2
Molecular Weight411.42 g/mol
Exact Mass411.14
IUPAC Name4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine
SMILESFC(F)(F)c1ccc(C2C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C24H20F3NO2/c25-24(26,27)17-7-5-16(6-8-17)22-10-9-20-18-3-1-2-4-19(18)21(15-23(20)30-22)28-11-13-29-14-12-28/h1-10,15,22H,11-14H2
InChIKeyQYQALOYDKRDTMJ-UHFFFAOYSA-N
XLogP5.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline
CID 821347
1,1,1-Trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl)amino)propan-2-ol
CID 10120284
2,8-Dimethoxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-6H-benzo[c]phenanthridine
CID 10918038
(2S,3R)-8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391940
8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130392115
1,1,1-trifluoro-3-[2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24775008
N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 90675821
N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)-3,5-bis(trifluoromethyl)aniline
CID 90675822
1-(2-Naphthalen-2-yloxyethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 145979698
1-[4-(3-Methoxyphenyl)piperazin-1-yl]-3-(1,2,3,4,5,6,7,8-octahydrophenanthren-9-yloxy)propan-2-ol
CID 430517
6-Morpholino-3-(4-morpholinophenyl)-3-phenyl-3h-naphtho[2,1-b]pyran
CID 9806148
4-(3,3-Diphenylbenzo[f]chromen-6-yl)morpholine
CID 22590674

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine?
The IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine (CID 142641197) is 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine is FC(F)(F)c1ccc(C2C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine?
The InChIKey is QYQALOYDKRDTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO2/c25-24(26,27)17-7-5-16(6-8-17)22-10-9-20-18-3-1-2-4-19(18)21(15-23(20)30-22)28-11-13-29-14-12-28/h1-10,15,22H,11-14H2.
What are the key properties of 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine?
4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine has a molecular weight of 411.42 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)phenyl]-3H-benzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 142641197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).