methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate

C15H21F2NO3 — CID 81265264

IUPACmethyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate
SMILESCNC(C)(CCCCOc1c(F)cccc1F)C(=O)OC
InChIInChI=1S/C15H21F2NO3/c1-15(18-2,14(19)20-3)9-4-5-10-21-13-11(16)7-6-8-12(13)17/h6-8,18H,4-5,9-10H2,1-3H3
InChIKeyCDOAHJZACNEQGG-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.66
Rot. Bonds8

About methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate

methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate (PubChem CID 81265264) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate
PubChem CID81265264
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Namemethyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate
SMILESCNC(C)(CCCCOc1c(F)cccc1F)C(=O)OC
InChIInChI=1S/C15H21F2NO3/c1-15(18-2,14(19)20-3)9-4-5-10-21-13-11(16)7-6-8-12(13)17/h6-8,18H,4-5,9-10H2,1-3H3
InChIKeyCDOAHJZACNEQGG-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,6-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 81265073
2-amino-6-(2,6-difluorophenoxy)-2-methylhexanoic acid
CID 81269489
methyl 2-(2-fluoroanilino)-2-methylheptanoate
CID 80557964
methyl 2-(2-fluoroanilino)-2-methylnonanoate
CID 63525929
ethyl 5-(2,3-difluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 63038197
5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide
CID 81265267
6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile
CID 81268081
6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide
CID 107660513
methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
CID 107714016
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
4-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)butanenitrile
CID 81269482
6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate?
The IUPAC name of methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate (CID 81265264) is methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate.
What is the SMILES notation for methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate?
The canonical SMILES for methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate is CNC(C)(CCCCOc1c(F)cccc1F)C(=O)OC.
What is the InChIKey of methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate?
The InChIKey is CDOAHJZACNEQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-15(18-2,14(19)20-3)9-4-5-10-21-13-11(16)7-6-8-12(13)17/h6-8,18H,4-5,9-10H2,1-3H3.
What are the key properties of methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate?
methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate has a molecular weight of 301.33 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate is sourced from PubChem (CID 81265264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).