(1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane

C5H7F2NO — CID 170023472

IUPAC(1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC1(F)[C@@H]2CO[C@H]1CN2
InChIInChI=1S/C5H7F2NO/c6-5(7)3-2-9-4(5)1-8-3/h3-4,8H,1-2H2/t3-,4-/m0/s1
InChIKeyHPJVVZKJCDJXBR-IMJSIDKUSA-N
MW135.11 g/mol
LogP-0.01
Rot. Bonds

About (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane

(1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 170023472) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID170023472
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name(1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC1(F)[C@@H]2CO[C@H]1CN2
InChIInChI=1S/C5H7F2NO/c6-5(7)3-2-9-4(5)1-8-3/h3-4,8H,1-2H2/t3-,4-/m0/s1
InChIKeyHPJVVZKJCDJXBR-IMJSIDKUSA-N
XLogP-0.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane (CID 170023472) is (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane is FC1(F)[C@@H]2CO[C@H]1CN2.
What is the InChIKey of (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is HPJVVZKJCDJXBR-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-5(7)3-2-9-4(5)1-8-3/h3-4,8H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 135.11 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170023472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).