N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine

C8H12F2N2O — CID 130677337

IUPACN-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine
SMILESCc1noc(C)c1N(C)CC(F)F
InChIInChI=1S/C8H12F2N2O/c1-5-8(6(2)13-11-5)12(3)4-7(9)10/h7H,4H2,1-3H3
InChIKeyLESAGCKIZRDZRL-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.99
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine

N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine (PubChem CID 130677337) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine
PubChem CID130677337
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine
SMILESCc1noc(C)c1N(C)CC(F)F
InChIInChI=1S/C8H12F2N2O/c1-5-8(6(2)13-11-5)12(3)4-7(9)10/h7H,4H2,1-3H3
InChIKeyLESAGCKIZRDZRL-UHFFFAOYSA-N
XLogP1.99
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine (CID 130677337) is N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine is Cc1noc(C)c1N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine?
The InChIKey is LESAGCKIZRDZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5-8(6(2)13-11-5)12(3)4-7(9)10/h7H,4H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine?
N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine has a molecular weight of 190.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine is sourced from PubChem (CID 130677337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).