(4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane

C10H18FNO — CID 177126322

IUPAC(4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane
SMILESCC(C)OC[C@@]12CCN1CC[C@H]2F
InChIInChI=1S/C10H18FNO/c1-8(2)13-7-10-4-6-12(10)5-3-9(10)11/h8-9H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeySDSAWZUDIMDNBS-NXEZZACHSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds3

About (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane

(4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane (PubChem CID 177126322) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane
PubChem CID177126322
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane
SMILESCC(C)OC[C@@]12CCN1CC[C@H]2F
InChIInChI=1S/C10H18FNO/c1-8(2)13-7-10-4-6-12(10)5-3-9(10)11/h8-9H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeySDSAWZUDIMDNBS-NXEZZACHSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane?
The IUPAC name of (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane (CID 177126322) is (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane is CC(C)OC[C@@]12CCN1CC[C@H]2F.
What is the InChIKey of (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane?
The InChIKey is SDSAWZUDIMDNBS-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(2)13-7-10-4-6-12(10)5-3-9(10)11/h8-9H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane?
(4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane has a molecular weight of 187.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 177126322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).