N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine

C12H11F3N2O — CID 172507031

IUPACN-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine
SMILESCC(F)(F)c1ccc(CNc2ncco2)c(F)c1
InChIInChI=1S/C12H11F3N2O/c1-12(14,15)9-3-2-8(10(13)6-9)7-17-11-16-4-5-18-11/h2-6H,7H2,1H3,(H,16,17)
InChIKeyYVLINUZRBOEKEX-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.54
Rot. Bonds4

About N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine

N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine (PubChem CID 172507031) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine
PubChem CID172507031
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine
SMILESCC(F)(F)c1ccc(CNc2ncco2)c(F)c1
InChIInChI=1S/C12H11F3N2O/c1-12(14,15)9-3-2-8(10(13)6-9)7-17-11-16-4-5-18-11/h2-6H,7H2,1H3,(H,16,17)
InChIKeyYVLINUZRBOEKEX-UHFFFAOYSA-N
XLogP3.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine?
The IUPAC name of N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine (CID 172507031) is N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine is CC(F)(F)c1ccc(CNc2ncco2)c(F)c1.
What is the InChIKey of N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine?
The InChIKey is YVLINUZRBOEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-12(14,15)9-3-2-8(10(13)6-9)7-17-11-16-4-5-18-11/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine?
N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine has a molecular weight of 256.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 172507031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).