4,4-difluorooxolan-3-amine;hydrochloride

C4H8ClF2NO — CID 146082364

IUPAC4,4-difluorooxolan-3-amine;hydrochloride
SMILESCl.NC1COCC1(F)F
InChIInChI=1S/C4H7F2NO.ClH/c5-4(6)2-8-1-3(4)7;/h3H,1-2,7H2;1H
InChIKeyQFYATYIICSINTP-UHFFFAOYSA-N
MW159.56 g/mol
LogP0.40
Rot. Bonds

About 4,4-difluorooxolan-3-amine;hydrochloride

4,4-difluorooxolan-3-amine;hydrochloride (PubChem CID 146082364) has the molecular formula C4H8ClF2NO and a molecular weight of 159.56 g/mol. Its IUPAC name is 4,4-difluorooxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluorooxolan-3-amine;hydrochloride
PubChem CID146082364
Molecular FormulaC4H8ClF2NO
Molecular Weight159.56 g/mol
Exact Mass159.03
IUPAC Name4,4-difluorooxolan-3-amine;hydrochloride
SMILESCl.NC1COCC1(F)F
InChIInChI=1S/C4H7F2NO.ClH/c5-4(6)2-8-1-3(4)7;/h3H,1-2,7H2;1H
InChIKeyQFYATYIICSINTP-UHFFFAOYSA-N
XLogP0.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.56
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorooxolan-3-amine;hydrochloride?
The IUPAC name of 4,4-difluorooxolan-3-amine;hydrochloride (CID 146082364) is 4,4-difluorooxolan-3-amine;hydrochloride.
What is the SMILES notation for 4,4-difluorooxolan-3-amine;hydrochloride?
The canonical SMILES for 4,4-difluorooxolan-3-amine;hydrochloride is Cl.NC1COCC1(F)F.
What is the InChIKey of 4,4-difluorooxolan-3-amine;hydrochloride?
The InChIKey is QFYATYIICSINTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO.ClH/c5-4(6)2-8-1-3(4)7;/h3H,1-2,7H2;1H.
What are the key properties of 4,4-difluorooxolan-3-amine;hydrochloride?
4,4-difluorooxolan-3-amine;hydrochloride has a molecular weight of 159.56 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorooxolan-3-amine;hydrochloride is sourced from PubChem (CID 146082364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).