N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine

C10H21FN2O — CID 176601527

IUPACN-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNCCF)C1COC1
InChIInChI=1S/C10H21FN2O/c1-9(2)13(10-7-14-8-10)6-5-12-4-3-11/h9-10,12H,3-8H2,1-2H3
InChIKeySKRXFPCHMBXFNG-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.65
Rot. Bonds7

About N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine

N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 176601527) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID176601527
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC NameN-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNCCF)C1COC1
InChIInChI=1S/C10H21FN2O/c1-9(2)13(10-7-14-8-10)6-5-12-4-3-11/h9-10,12H,3-8H2,1-2H3
InChIKeySKRXFPCHMBXFNG-UHFFFAOYSA-N
XLogP0.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine (CID 176601527) is N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCNCCF)C1COC1.
What is the InChIKey of N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is SKRXFPCHMBXFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-9(2)13(10-7-14-8-10)6-5-12-4-3-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 204.29 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N'-(oxetan-3-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 176601527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).