N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine

C11H21F2NO2 — CID 103083062

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESFC(F)COCCNCCCC1CCCO1
InChIInChI=1S/C11H21F2NO2/c12-11(13)9-15-8-6-14-5-1-3-10-4-2-7-16-10/h10-11,14H,1-9H2
InChIKeyHJSIYQLPAOMQEW-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.82
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 103083062) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID103083062
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESFC(F)COCCNCCCC1CCCO1
InChIInChI=1S/C11H21F2NO2/c12-11(13)9-15-8-6-14-5-1-3-10-4-2-7-16-10/h10-11,14H,1-9H2
InChIKeyHJSIYQLPAOMQEW-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 103208032
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine
CID 114191152
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 113407671
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine (CID 103083062) is N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine is FC(F)COCCNCCCC1CCCO1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is HJSIYQLPAOMQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c12-11(13)9-15-8-6-14-5-1-3-10-4-2-7-16-10/h10-11,14H,1-9H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 237.29 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 103083062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).