(2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one

C14H17FN2O2 — CID 146362446

IUPAC(2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2C[C@@H](CC[C@H]2CF)N1OCc1ccccc1
InChIInChI=1S/C14H17FN2O2/c15-8-12-6-7-13-9-16(12)14(18)17(13)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1
InChIKeyLBLCXSMXCTTWPZ-QWHCGFSZSA-N
MW264.30 g/mol
LogP2.36
Rot. Bonds4

About (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one

(2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 146362446) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID146362446
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2C[C@@H](CC[C@H]2CF)N1OCc1ccccc1
InChIInChI=1S/C14H17FN2O2/c15-8-12-6-7-13-9-16(12)14(18)17(13)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1
InChIKeyLBLCXSMXCTTWPZ-QWHCGFSZSA-N
XLogP2.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one (CID 146362446) is (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N2C[C@@H](CC[C@H]2CF)N1OCc1ccccc1.
What is the InChIKey of (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is LBLCXSMXCTTWPZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-8-12-6-7-13-9-16(12)14(18)17(13)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1.
What are the key properties of (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
(2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 264.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 146362446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).