(3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane

C9H16FNO — CID 168881567

IUPAC(3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
SMILESCOC[C@]12C[C@@H](F)CN1[C@@H](C)C2
InChIInChI=1S/C9H16FNO/c1-7-3-9(6-12-2)4-8(10)5-11(7)9/h7-8H,3-6H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeySXNVICQCABUVLC-YIZRAAEISA-N
MW173.23 g/mol
LogP1.21
Rot. Bonds2

About (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane

(3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane (PubChem CID 168881567) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
PubChem CID168881567
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
SMILESCOC[C@]12C[C@@H](F)CN1[C@@H](C)C2
InChIInChI=1S/C9H16FNO/c1-7-3-9(6-12-2)4-8(10)5-11(7)9/h7-8H,3-6H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeySXNVICQCABUVLC-YIZRAAEISA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane?
The IUPAC name of (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane (CID 168881567) is (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane is COC[C@]12C[C@@H](F)CN1[C@@H](C)C2.
What is the InChIKey of (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane?
The InChIKey is SXNVICQCABUVLC-YIZRAAEISA-N. The full InChI is InChI=1S/C9H16FNO/c1-7-3-9(6-12-2)4-8(10)5-11(7)9/h7-8H,3-6H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane?
(3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane has a molecular weight of 173.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 168881567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).