2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol

C14H28F3NO2 — CID 82795380

IUPAC2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOCCCC(F)(F)F
InChIInChI=1S/C14H28F3NO2/c1-12(2)18-13(3,11-19)7-4-5-9-20-10-6-8-14(15,16)17/h12,18-19H,4-11H2,1-3H3
InChIKeyVIUSBXYSRWVBHL-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.26
Rot. Bonds11

About 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol

2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol (PubChem CID 82795380) has the molecular formula C14H28F3NO2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
PubChem CID82795380
Molecular FormulaC14H28F3NO2
Molecular Weight299.38 g/mol
Exact Mass299.21
IUPAC Name2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOCCCC(F)(F)F
InChIInChI=1S/C14H28F3NO2/c1-12(2)18-13(3,11-19)7-4-5-9-20-10-6-8-14(15,16)17/h12,18-19H,4-11H2,1-3H3
InChIKeyVIUSBXYSRWVBHL-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
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-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2-methyl-2-(propan-2-ylamino)-3-(3,3,3-trifluoropropoxy)propan-1-ol
CID 82958060
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
CID 64807508
5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811392
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol (CID 82795380) is 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol is CC(C)NC(C)(CO)CCCCOCCCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol?
The InChIKey is VIUSBXYSRWVBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO2/c1-12(2)18-13(3,11-19)7-4-5-9-20-10-6-8-14(15,16)17/h12,18-19H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol?
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol has a molecular weight of 299.38 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol is sourced from PubChem (CID 82795380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).