3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride

C6H9ClF2N2O — CID 171340437

IUPAC3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride
SMILESCl.NCC(c1ccon1)C(F)F
InChIInChI=1S/C6H8F2N2O.ClH/c7-6(8)4(3-9)5-1-2-11-10-5;/h1-2,4,6H,3,9H2;1H
InChIKeyKGKVMWIUCOGIOV-UHFFFAOYSA-N
MW198.60 g/mol
LogP1.40
Rot. Bonds3

About 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride

3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride (PubChem CID 171340437) has the molecular formula C6H9ClF2N2O and a molecular weight of 198.60 g/mol. Its IUPAC name is 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride
PubChem CID171340437
Molecular FormulaC6H9ClF2N2O
Molecular Weight198.60 g/mol
Exact Mass198.04
IUPAC Name3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride
SMILESCl.NCC(c1ccon1)C(F)F
InChIInChI=1S/C6H8F2N2O.ClH/c7-6(8)4(3-9)5-1-2-11-10-5;/h1-2,4,6H,3,9H2;1H
InChIKeyKGKVMWIUCOGIOV-UHFFFAOYSA-N
XLogP1.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.60
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride (CID 171340437) is 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride is Cl.NCC(c1ccon1)C(F)F.
What is the InChIKey of 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is KGKVMWIUCOGIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O.ClH/c7-6(8)4(3-9)5-1-2-11-10-5;/h1-2,4,6H,3,9H2;1H.
What are the key properties of 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride?
3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 198.60 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(1,2-oxazol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171340437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).