(1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride

C5H8ClF2NO — CID 170898010

IUPAC(1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC1(F)[C@@H]2NCCO[C@H]21
InChIInChI=1S/C5H7F2NO.ClH/c6-5(7)3-4(5)9-2-1-8-3;/h3-4,8H,1-2H2;1H/t3-,4-;/m1./s1
InChIKeyYNOFUUUOBHBDMF-VKKIDBQXSA-N
MW171.57 g/mol
LogP0.41
Rot. Bonds

About (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride

(1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 170898010) has the molecular formula C5H8ClF2NO and a molecular weight of 171.57 g/mol. Its IUPAC name is (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name(1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID170898010
Molecular FormulaC5H8ClF2NO
Molecular Weight171.57 g/mol
Exact Mass171.03
IUPAC Name(1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC1(F)[C@@H]2NCCO[C@H]21
InChIInChI=1S/C5H7F2NO.ClH/c6-5(7)3-4(5)9-2-1-8-3;/h3-4,8H,1-2H2;1H/t3-,4-;/m1./s1
InChIKeyYNOFUUUOBHBDMF-VKKIDBQXSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride (CID 170898010) is (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride is Cl.FC1(F)[C@@H]2NCCO[C@H]21.
What is the InChIKey of (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is YNOFUUUOBHBDMF-VKKIDBQXSA-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/t3-,4-;/m1./s1.
What are the key properties of (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
(1R,6R)-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 (1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 170898010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).