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

C9H19F2NO2 — CID 106810676

IUPAC2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
SMILESCCC(N)(CO)CCCOCC(F)F
InChIInChI=1S/C9H19F2NO2/c1-2-9(12,7-13)4-3-5-14-6-8(10)11/h8,13H,2-7,12H2,1H3
InChIKeyLWIIGZACPCQMDH-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.15
Rot. Bonds8

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

2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol (PubChem CID 106810676) has the molecular formula C9H19F2NO2 and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
PubChem CID106810676
Molecular FormulaC9H19F2NO2
Molecular Weight211.25 g/mol
Exact Mass211.14
IUPAC Name2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
SMILESCCC(N)(CO)CCCOCC(F)F
InChIInChI=1S/C9H19F2NO2/c1-2-9(12,7-13)4-3-5-14-6-8(10)11/h8,13H,2-7,12H2,1H3
InChIKeyLWIIGZACPCQMDH-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.15
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-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol
CID 106810758
2-amino-5-(cyclopentylmethoxy)-2-ethylpentan-1-ol
CID 106810639
2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol
CID 106206804
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810677
1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
CID 82009085
2-amino-2-ethyl-5-[ethyl(1-methoxypropan-2-yl)amino]pentan-1-ol
CID 106809399
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804900
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
1-butoxy-3-ethylheptan-3-amine
CID 65019696
2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol
CID 106810424

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol?
The IUPAC name of 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol (CID 106810676) is 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol?
The canonical SMILES for 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol is CCC(N)(CO)CCCOCC(F)F.
What is the InChIKey of 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol?
The InChIKey is LWIIGZACPCQMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2/c1-2-9(12,7-13)4-3-5-14-6-8(10)11/h8,13H,2-7,12H2,1H3.
What are the key properties of 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol?
2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol has a molecular weight of 211.25 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol is sourced from PubChem (CID 106810676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).