2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite

C9H21FN2O — CID 155574501

IUPAC2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite
SMILESCCCN(C)CCN(C)CCOF
InChIInChI=1S/C9H21FN2O/c1-4-5-11(2)6-7-12(3)8-9-13-10/h4-9H2,1-3H3
InChIKeyIOSBVJRIFCWTHI-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.16
Rot. Bonds8

About 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite

2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite (PubChem CID 155574501) has the molecular formula C9H21FN2O and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite.

Molecular Properties

Compound Name2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite
PubChem CID155574501
Molecular FormulaC9H21FN2O
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC Name2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite
SMILESCCCN(C)CCN(C)CCOF
InChIInChI=1S/C9H21FN2O/c1-4-5-11(2)6-7-12(3)8-9-13-10/h4-9H2,1-3H3
InChIKeyIOSBVJRIFCWTHI-UHFFFAOYSA-N
XLogP1.16
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite?
The IUPAC name of 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite (CID 155574501) is 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite.
What is the SMILES notation for 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite?
The canonical SMILES for 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite is CCCN(C)CCN(C)CCOF.
What is the InChIKey of 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite?
The InChIKey is IOSBVJRIFCWTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN2O/c1-4-5-11(2)6-7-12(3)8-9-13-10/h4-9H2,1-3H3.
What are the key properties of 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite?
2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite has a molecular weight of 192.28 g/mol, XLogP of 1.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethyl hypofluorite is sourced from PubChem (CID 155574501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).