3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine

C9H14F3N3O — CID 43752759

IUPAC3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine
SMILESCc1cc(CN(C)C(CN)C(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-6-3-7(14-16-6)5-15(2)8(4-13)9(10,11)12/h3,8H,4-5,13H2,1-2H3
InChIKeyCVOFKYDBQIWRKP-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.30
Rot. Bonds4

About 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine

3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine (PubChem CID 43752759) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine
PubChem CID43752759
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine
SMILESCc1cc(CN(C)C(CN)C(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-6-3-7(14-16-6)5-15(2)8(4-13)9(10,11)12/h3,8H,4-5,13H2,1-2H3
InChIKeyCVOFKYDBQIWRKP-UHFFFAOYSA-N
XLogP1.30
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine (CID 43752759) is 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine is Cc1cc(CN(C)C(CN)C(F)(F)F)no1.
What is the InChIKey of 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine?
The InChIKey is CVOFKYDBQIWRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6-3-7(14-16-6)5-15(2)8(4-13)9(10,11)12/h3,8H,4-5,13H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine?
3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine has a molecular weight of 237.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 43752759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).