2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine

C7H17FN2O — CID 122239772

IUPAC2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
SMILESCCOCCC(F)(CN)CN
InChIInChI=1S/C7H17FN2O/c1-2-11-4-3-7(8,5-9)6-10/h2-6,9-10H2,1H3
InChIKeyIUVIROLJTVDHQL-UHFFFAOYSA-N
MW164.22 g/mol
LogP0.04
Rot. Bonds6

About 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine

2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine (PubChem CID 122239772) has the molecular formula C7H17FN2O and a molecular weight of 164.22 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
PubChem CID122239772
Molecular FormulaC7H17FN2O
Molecular Weight164.22 g/mol
Exact Mass164.13
IUPAC Name2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
SMILESCCOCCC(F)(CN)CN
InChIInChI=1S/C7H17FN2O/c1-2-11-4-3-7(8,5-9)6-10/h2-6,9-10H2,1H3
InChIKeyIUVIROLJTVDHQL-UHFFFAOYSA-N
XLogP0.04
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 50.04
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

4-ethoxy-2,2-diethylbutan-1-amine
CID 62725698
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine
CID 116535393
4-ethoxy-1,1,1,2,2-pentafluorobutane;methane
CID 178006484
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
12-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
CID 58954528
1-ethoxy-2-(trifluoromethoxy)ethane
CID 87162422
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
ethanamine;ethoxyethane
CID 87409390
1,2-diethoxyethane;hydrofluoride
CID 175535770

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine?
The IUPAC name of 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine (CID 122239772) is 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine.
What is the SMILES notation for 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine?
The canonical SMILES for 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine is CCOCCC(F)(CN)CN.
What is the InChIKey of 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine?
The InChIKey is IUVIROLJTVDHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2O/c1-2-11-4-3-7(8,5-9)6-10/h2-6,9-10H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine?
2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine has a molecular weight of 164.22 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine is sourced from PubChem (CID 122239772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).