7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride

C5H8ClF2NO — CID 155895305

IUPAC7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC1(F)C2NCCOC21
InChIInChI=1S/C5H7F2NO.ClH/c6-5(7)3-4(5)9-2-1-8-3;/h3-4,8H,1-2H2;1H
InChIKeyYNOFUUUOBHBDMF-UHFFFAOYSA-N
MW171.57 g/mol
LogP0.41
Rot. Bonds

About 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride

7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 155895305) has the molecular formula C5H8ClF2NO and a molecular weight of 171.57 g/mol. Its IUPAC name is 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID155895305
Molecular FormulaC5H8ClF2NO
Molecular Weight171.57 g/mol
Exact Mass171.03
IUPAC Name7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC1(F)C2NCCOC21
InChIInChI=1S/C5H7F2NO.ClH/c6-5(7)3-4(5)9-2-1-8-3;/h3-4,8H,1-2H2;1H
InChIKeyYNOFUUUOBHBDMF-UHFFFAOYSA-N
XLogP0.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.57
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxa-5-azabicyclo[4.1.0]heptane hydrochloride
CID 54595647
2-Oxa-5-azabicyclo[4.1.0]heptane
CID 50986266
2-(Difluoromethyl)-3-methyl-1,4-oxazepane
CID 170772059
7-Fluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 176338251
(1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 176776761
7-(Trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane hydrochloride
CID 47003533
7-(Trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 47003534
(1R,6S,7S)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 50989352
7,7-Difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 50989414
rac-(1R,6S,7R)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 52271458
(1R,6S)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 52421092
(1S,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 52421093

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride (CID 155895305) is 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride is Cl.FC1(F)C2NCCOC21.
What is the InChIKey of 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is YNOFUUUOBHBDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO.ClH/c6-5(7)3-4(5)9-2-1-8-3;/h3-4,8H,1-2H2;1H.
What are the key properties of 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 171.57 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 155895305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).