4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol

C10H21F2NO2 — CID 82009789

IUPAC4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCOCC(F)F
InChIInChI=1S/C10H21F2NO2/c1-3-5-13-10(2,8-14)4-6-15-7-9(11)12/h9,13-14H,3-8H2,1-2H3
InChIKeyNSHOIWMZUZZLGO-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.41
Rot. Bonds9

About 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol

4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 82009789) has the molecular formula C10H21F2NO2 and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID82009789
Molecular FormulaC10H21F2NO2
Molecular Weight225.28 g/mol
Exact Mass225.15
IUPAC Name4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCOCC(F)F
InChIInChI=1S/C10H21F2NO2/c1-3-5-13-10(2,8-14)4-6-15-7-9(11)12/h9,13-14H,3-8H2,1-2H3
InChIKeyNSHOIWMZUZZLGO-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.41
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 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol (CID 82009789) is 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCOCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is NSHOIWMZUZZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO2/c1-3-5-13-10(2,8-14)4-6-15-7-9(11)12/h9,13-14H,3-8H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol?
4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 225.28 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 82009789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).