2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol

C12H23F2NO2 — CID 106810677

IUPAC2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCOCC(F)F)NC1CC1
InChIInChI=1S/C12H23F2NO2/c1-2-12(9-16,15-10-4-5-10)6-3-7-17-8-11(13)14/h10-11,15-16H,2-9H2,1H3
InChIKeyYMADVPAUDNDXJI-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.94
Rot. Bonds10

About 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol

2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol (PubChem CID 106810677) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
PubChem CID106810677
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCOCC(F)F)NC1CC1
InChIInChI=1S/C12H23F2NO2/c1-2-12(9-16,15-10-4-5-10)6-3-7-17-8-11(13)14/h10-11,15-16H,2-9H2,1H3
InChIKeyYMADVPAUDNDXJI-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.94
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

2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol
CID 106810706
2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810635
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile
CID 106804902
2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
CID 106810519
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
CID 106810269
2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810676
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194
2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
CID 82006585
2-(cyclopropylamino)-2-ethyl-5-[methyl(pentyl)amino]pentan-1-ol
CID 106809226
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450699
2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106809879

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol (CID 106810677) is 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol is CCC(CO)(CCCOCC(F)F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol?
The InChIKey is YMADVPAUDNDXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c1-2-12(9-16,15-10-4-5-10)6-3-7-17-8-11(13)14/h10-11,15-16H,2-9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol?
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol has a molecular weight of 251.32 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol is sourced from PubChem (CID 106810677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).