6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C16H25F2NO2 — CID 64809744

IUPAC6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOc1cccc(F)c1F
InChIInChI=1S/C16H25F2NO2/c1-12(2)19-16(3,11-20)9-4-5-10-21-14-8-6-7-13(17)15(14)18/h6-8,12,19-20H,4-5,9-11H2,1-3H3
InChIKeyZRUTZTPXBMXNMY-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.26
Rot. Bonds9

About 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64809744) has the molecular formula C16H25F2NO2 and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64809744
Molecular FormulaC16H25F2NO2
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOc1cccc(F)c1F
InChIInChI=1S/C16H25F2NO2/c1-12(2)19-16(3,11-20)9-4-5-10-21-14-8-6-7-13(17)15(14)18/h6-8,12,19-20H,4-5,9-11H2,1-3H3
InChIKeyZRUTZTPXBMXNMY-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810357
2-(cyclopropylamino)-5-(2,3-difluorophenoxy)-2-methylpentan-1-ol
CID 64809326
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
5-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63036442
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
5-(2,3-difluorophenoxy)pentan-2-ol
CID 63036089
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
1-dodecoxy-2,3-difluorobenzene
CID 15854521

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64809744) is 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCOc1cccc(F)c1F.
What is the InChIKey of 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is ZRUTZTPXBMXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO2/c1-12(2)19-16(3,11-20)9-4-5-10-21-14-8-6-7-13(17)15(14)18/h6-8,12,19-20H,4-5,9-11H2,1-3H3.
What are the key properties of 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 301.38 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64809744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).