4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene

C16H25F2NO3 — CID 177207436

IUPAC4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene
SMILESCCC(C)N1CCOCC1.COc1cccc(OC(F)F)c1
InChIInChI=1S/C8H8F2O2.C8H17NO/c1-11-6-3-2-4-7(5-6)12-8(9)10;1-3-8(2)9-4-6-10-7-5-9/h2-5,8H,1H3;8H,3-7H2,1-2H3
InChIKeyXDNNBOAIRKCTIC-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.41
Rot. Bonds5

About 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene

4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene (PubChem CID 177207436) has the molecular formula C16H25F2NO3 and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene
PubChem CID177207436
Molecular FormulaC16H25F2NO3
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene
SMILESCCC(C)N1CCOCC1.COc1cccc(OC(F)F)c1
InChIInChI=1S/C8H8F2O2.C8H17NO/c1-11-6-3-2-4-7(5-6)12-8(9)10;1-3-8(2)9-4-6-10-7-5-9/h2-5,8H,1H3;8H,3-7H2,1-2H3
InChIKeyXDNNBOAIRKCTIC-UHFFFAOYSA-N
XLogP3.41
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene
CID 177204961
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
CID 112500977
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111679775
1-(3-methoxyphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987584
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
1-ethyl-3-[2-(3-fluorophenoxy)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111502894
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284266
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene?
The IUPAC name of 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene (CID 177207436) is 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene.
What is the SMILES notation for 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene?
The canonical SMILES for 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene is CCC(C)N1CCOCC1.COc1cccc(OC(F)F)c1.
What is the InChIKey of 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene?
The InChIKey is XDNNBOAIRKCTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2.C8H17NO/c1-11-6-3-2-4-7(5-6)12-8(9)10;1-3-8(2)9-4-6-10-7-5-9/h2-5,8H,1H3;8H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene?
4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene has a molecular weight of 317.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylmorpholine;1-(difluoromethoxy)-3-methoxybenzene is sourced from PubChem (CID 177207436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).