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

C5H8FNO — CID 135395693

IUPAC(1R,4R)-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?/m1/s1
InChIKeyLRQRLXHZCIJEOH-ZZKAVYKESA-N
MW117.12 g/mol
LogP-0.30
Rot. Bonds

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

(1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 135395693) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID135395693
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(1R,4R)-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?/m1/s1
InChIKeyLRQRLXHZCIJEOH-ZZKAVYKESA-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

2-oxa-6-azabicyclo[3.2.0]heptane
CID 18923028
5,9-dioxa-2-azabicyclo[6.2.0]decane
CID 122672123
2-oxa-5,9-diazabicyclo[6.2.0]decane
CID 118209815
(1S,4R,5S)-5-fluoro-2-azabicyclo[2.1.1]hexane
CID 55280748
8-fluoro-3,6-diazabicyclo[3.2.1]octane
CID 105427520
6-fluoro-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 90236159
2-fluoro-5-methylmorpholine
CID 105427159
(1S,4S,5R,6S)-6-(cyclopropylmethyl)-5-fluoro-2-azabicyclo[2.2.2]octane
CID 166820635
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
CID 55303426
3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane
CID 130396612
(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 146154961
(1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane
CID 177267500

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane (CID 135395693) is (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane is FC1[C@H]2CO[C@@H]1CN2.
What is the InChIKey of (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is LRQRLXHZCIJEOH-ZZKAVYKESA-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?/m1/s1.
What are the key properties of (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R,4R)-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 (1R,4R)-7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 135395693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).