4,4-difluoro-N-methyloxolan-2-amine;hydrochloride

C5H10ClF2NO — CID 175578113

IUPAC4,4-difluoro-N-methyloxolan-2-amine;hydrochloride
SMILESCNC1CC(F)(F)CO1.Cl
InChIInChI=1S/C5H9F2NO.ClH/c1-8-4-2-5(6,7)3-9-4;/h4,8H,2-3H2,1H3;1H
InChIKeyPEBXRMUBLCGUHM-UHFFFAOYSA-N
MW173.59 g/mol
LogP1.01
Rot. Bonds1

About 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride

4,4-difluoro-N-methyloxolan-2-amine;hydrochloride (PubChem CID 175578113) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-methyloxolan-2-amine;hydrochloride
PubChem CID175578113
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name4,4-difluoro-N-methyloxolan-2-amine;hydrochloride
SMILESCNC1CC(F)(F)CO1.Cl
InChIInChI=1S/C5H9F2NO.ClH/c1-8-4-2-5(6,7)3-9-4;/h4,8H,2-3H2,1H3;1H
InChIKeyPEBXRMUBLCGUHM-UHFFFAOYSA-N
XLogP1.01
TPSA21.26 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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride?
The IUPAC name of 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride (CID 175578113) is 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride is CNC1CC(F)(F)CO1.Cl.
What is the InChIKey of 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride?
The InChIKey is PEBXRMUBLCGUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c1-8-4-2-5(6,7)3-9-4;/h4,8H,2-3H2,1H3;1H.
What are the key properties of 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride?
4,4-difluoro-N-methyloxolan-2-amine;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methyloxolan-2-amine;hydrochloride is sourced from PubChem (CID 175578113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).