5-(difluoromethyl)oxolan-3-amine;hydrochloride

C5H10ClF2NO — CID 167721348

IUPAC5-(difluoromethyl)oxolan-3-amine;hydrochloride
SMILESCl.NC1COC(C(F)F)C1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)4-1-3(8)2-9-4;/h3-5H,1-2,8H2;1H
InChIKeyVCFIKVUQEMHBTQ-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.79
Rot. Bonds1

About 5-(difluoromethyl)oxolan-3-amine;hydrochloride

5-(difluoromethyl)oxolan-3-amine;hydrochloride (PubChem CID 167721348) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is 5-(difluoromethyl)oxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name5-(difluoromethyl)oxolan-3-amine;hydrochloride
PubChem CID167721348
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name5-(difluoromethyl)oxolan-3-amine;hydrochloride
SMILESCl.NC1COC(C(F)F)C1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)4-1-3(8)2-9-4;/h3-5H,1-2,8H2;1H
InChIKeyVCFIKVUQEMHBTQ-UHFFFAOYSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)oxolan-3-amine;hydrochloride?
The IUPAC name of 5-(difluoromethyl)oxolan-3-amine;hydrochloride (CID 167721348) is 5-(difluoromethyl)oxolan-3-amine;hydrochloride.
What is the SMILES notation for 5-(difluoromethyl)oxolan-3-amine;hydrochloride?
The canonical SMILES for 5-(difluoromethyl)oxolan-3-amine;hydrochloride is Cl.NC1COC(C(F)F)C1.
What is the InChIKey of 5-(difluoromethyl)oxolan-3-amine;hydrochloride?
The InChIKey is VCFIKVUQEMHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)4-1-3(8)2-9-4;/h3-5H,1-2,8H2;1H.
What are the key properties of 5-(difluoromethyl)oxolan-3-amine;hydrochloride?
5-(difluoromethyl)oxolan-3-amine;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)oxolan-3-amine;hydrochloride is sourced from PubChem (CID 167721348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).