4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene

C16H24F3NO2 — CID 177204961

IUPAC4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene
SMILESCCC(C)N1CCOCC1.COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O.C8H17NO/c1-12-7-4-2-3-6(5-7)8(9,10)11;1-3-8(2)9-4-6-10-7-5-9/h2-5H,1H3;8H,3-7H2,1-2H3
InChIKeyIIBQRVNTPMJXJE-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.83
Rot. Bonds3

About 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene

4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene (PubChem CID 177204961) has the molecular formula C16H24F3NO2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene
PubChem CID177204961
Molecular FormulaC16H24F3NO2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene
SMILESCCC(C)N1CCOCC1.COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O.C8H17NO/c1-12-7-4-2-3-6(5-7)8(9,10)11;1-3-8(2)9-4-6-10-7-5-9/h2-5H,1H3;8H,3-7H2,1-2H3
InChIKeyIIBQRVNTPMJXJE-UHFFFAOYSA-N
XLogP3.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene
CID 177207436
4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
CID 134949179
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
CID 54775900
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
1-(3-methoxyphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987584
4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
CID 42867737
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(3-methoxyphenyl)-2-morpholin-4-ylpropanamide
CID 91095185
3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
CID 112500977
3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
CID 43829999
1,3,5-tris[2,2-difluoro-2-(3-methoxyphenyl)ethyl]-1,3,5-triazinane
CID 102292739

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene (CID 177204961) is 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene is CCC(C)N1CCOCC1.COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene?
The InChIKey is IIBQRVNTPMJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C8H17NO/c1-12-7-4-2-3-6(5-7)8(9,10)11;1-3-8(2)9-4-6-10-7-5-9/h2-5H,1H3;8H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene?
4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene has a molecular weight of 319.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 177204961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).