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

C5H8FNO — CID 118876437

IUPAC(1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC1[C@@H]2CO[C@H]1CN2
InChIInChI=1S/C5H8FNO/c6-5-3-2-8-4(5)1-7-3/h3-5,7H,1-2H2/t3-,4-,5?/m0/s1
InChIKeyLRQRLXHZCIJEOH-QRHDOFTISA-N
MW117.12 g/mol
LogP-0.30
Rot. Bonds

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

(1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 118876437) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID118876437
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC1[C@@H]2CO[C@H]1CN2
InChIInChI=1S/C5H8FNO/c6-5-3-2-8-4(5)1-7-3/h3-5,7H,1-2H2/t3-,4-,5?/m0/s1
InChIKeyLRQRLXHZCIJEOH-QRHDOFTISA-N
XLogP-0.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S)-2-oxa-5-azabicyclo(2.2.1)heptane hydrochloride
CID 21303398
(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane hydrobromide
CID 11159293
2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride
CID 21914364
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 42554306
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane hydrochloride
CID 66582511
1-(Trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 155262801
2-Oxa-5-azabicyclo(2.2.1)heptane
CID 3614551
7-Oxa-2-azabicyclo[2.2.1]heptane
CID 90981681
7-Fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
CID 117688566
3-(Trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 130061644
(1S,4S)-7,7-difluoro-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170023472
(1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170357656

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane (CID 118876437) is (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane is FC1[C@@H]2CO[C@H]1CN2.
What is the InChIKey of (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is LRQRLXHZCIJEOH-QRHDOFTISA-N. The full InChI is InChI=1S/C5H8FNO/c6-5-3-2-8-4(5)1-7-3/h3-5,7H,1-2H2/t3-,4-,5?/m0/s1.
What are the key properties of (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 117.12 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 118876437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).