3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine

C10H19F3N2O — CID 61431066

IUPAC3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15(9(6-14)10(11,12)13)7-8-4-2-3-5-16-8/h8-9H,2-7,14H2,1H3
InChIKeyVUDILXLCAGTFHG-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds4

About 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine

3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine (PubChem CID 61431066) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
PubChem CID61431066
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15(9(6-14)10(11,12)13)7-8-4-2-3-5-16-8/h8-9H,2-7,14H2,1H3
InChIKeyVUDILXLCAGTFHG-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine (CID 61431066) is 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine is CN(CC1CCCCO1)C(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is VUDILXLCAGTFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15(9(6-14)10(11,12)13)7-8-4-2-3-5-16-8/h8-9H,2-7,14H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine?
3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 61431066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).