4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine

C19H19F6NO2 — CID 170871315

IUPAC4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
SMILESFC(F)(F)c1cc(-c2ccc(CCCN3CCOCC3)o2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F6NO2/c20-18(21,22)14-10-13(11-15(12-14)19(23,24)25)17-4-3-16(28-17)2-1-5-26-6-8-27-9-7-26/h3-4,10-12H,1-2,5-9H2
InChIKeyHDQZMFHTKXAICY-UHFFFAOYSA-N
MW407.35 g/mol
LogP5.25
Rot. Bonds5

About 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine

4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine (PubChem CID 170871315) has the molecular formula C19H19F6NO2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
PubChem CID170871315
Molecular FormulaC19H19F6NO2
Molecular Weight407.35 g/mol
Exact Mass407.13
IUPAC Name4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
SMILESFC(F)(F)c1cc(-c2ccc(CCCN3CCOCC3)o2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F6NO2/c20-18(21,22)14-10-13(11-15(12-14)19(23,24)25)17-4-3-16(28-17)2-1-5-26-6-8-27-9-7-26/h3-4,10-12H,1-2,5-9H2
InChIKeyHDQZMFHTKXAICY-UHFFFAOYSA-N
XLogP5.25
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
CID 17195962
4-[3-(5-thiophen-3-ylfuran-2-yl)propyl]morpholine
CID 170871269
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869712
4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
CID 162740835
4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine
CID 170871274
4-(3-morpholin-4-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 52945849
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(4,5-dimethylfuran-2-yl)propyl]morpholine
CID 170871309
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
CID 170870044

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine (CID 170871315) is 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine is FC(F)(F)c1cc(-c2ccc(CCCN3CCOCC3)o2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine?
The InChIKey is HDQZMFHTKXAICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6NO2/c20-18(21,22)14-10-13(11-15(12-14)19(23,24)25)17-4-3-16(28-17)2-1-5-26-6-8-27-9-7-26/h3-4,10-12H,1-2,5-9H2.
What are the key properties of 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine?
4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine has a molecular weight of 407.35 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine is sourced from PubChem (CID 170871315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).