6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C16H25F2NO2 — CID 64810357

IUPAC6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOc1cc(F)ccc1F
InChIInChI=1S/C16H25F2NO2/c1-12(2)19-16(3,11-20)8-4-5-9-21-15-10-13(17)6-7-14(15)18/h6-7,10,12,19-20H,4-5,8-9,11H2,1-3H3
InChIKeyQTMCDSPWUWCHKJ-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.26
Rot. Bonds9

About 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64810357) has the molecular formula C16H25F2NO2 and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64810357
Molecular FormulaC16H25F2NO2
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOc1cc(F)ccc1F
InChIInChI=1S/C16H25F2NO2/c1-12(2)19-16(3,11-20)8-4-5-9-21-15-10-13(17)6-7-14(15)18/h6-7,10,12,19-20H,4-5,8-9,11H2,1-3H3
InChIKeyQTMCDSPWUWCHKJ-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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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64810357) is 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCOc1cc(F)ccc1F.
What is the InChIKey of 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is QTMCDSPWUWCHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO2/c1-12(2)19-16(3,11-20)8-4-5-9-21-15-10-13(17)6-7-14(15)18/h6-7,10,12,19-20H,4-5,8-9,11H2,1-3H3.
What are the key properties of 6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(2,5-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-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64810357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).