2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine

C9H21FN2O — CID 143050596

IUPAC2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCC(C(C)F)C(COC)NC
InChIInChI=1S/C9H21FN2O/c1-7(10)8(5-11-2)9(12-3)6-13-4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyFEVLZCGYLMTJBK-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.41
Rot. Bonds7

About 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine

2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 143050596) has the molecular formula C9H21FN2O and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID143050596
Molecular FormulaC9H21FN2O
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC Name2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCC(C(C)F)C(COC)NC
InChIInChI=1S/C9H21FN2O/c1-7(10)8(5-11-2)9(12-3)6-13-4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyFEVLZCGYLMTJBK-UHFFFAOYSA-N
XLogP0.41
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine (CID 143050596) is 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine is CNCC(C(C)F)C(COC)NC.
What is the InChIKey of 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is FEVLZCGYLMTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN2O/c1-7(10)8(5-11-2)9(12-3)6-13-4/h7-9,11-12H,5-6H2,1-4H3.
What are the key properties of 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine?
2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 192.28 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-4-methoxy-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 143050596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).