(1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane

C16H20FNO — CID 163653038

IUPAC(1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane
SMILESFCc1ccc(COC2CC3NC4CC[C@@]43C2)cc1
InChIInChI=1S/C16H20FNO/c17-9-11-1-3-12(4-2-11)10-19-13-7-15-16(8-13)6-5-14(16)18-15/h1-4,13-15,18H,5-10H2/t13?,14?,15?,16-/m1/s1
InChIKeyINVRBQWJQSDNNN-LGGPCSOHSA-N
MW261.34 g/mol
LogP2.96
Rot. Bonds4

About (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane

(1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane (PubChem CID 163653038) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane.

Molecular Properties

Compound Name(1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane
PubChem CID163653038
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane
SMILESFCc1ccc(COC2CC3NC4CC[C@@]43C2)cc1
InChIInChI=1S/C16H20FNO/c17-9-11-1-3-12(4-2-11)10-19-13-7-15-16(8-13)6-5-14(16)18-15/h1-4,13-15,18H,5-10H2/t13?,14?,15?,16-/m1/s1
InChIKeyINVRBQWJQSDNNN-LGGPCSOHSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane?
The IUPAC name of (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane (CID 163653038) is (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane.
What is the SMILES notation for (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane?
The canonical SMILES for (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane is FCc1ccc(COC2CC3NC4CC[C@@]43C2)cc1.
What is the InChIKey of (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane?
The InChIKey is INVRBQWJQSDNNN-LGGPCSOHSA-N. The full InChI is InChI=1S/C16H20FNO/c17-9-11-1-3-12(4-2-11)10-19-13-7-15-16(8-13)6-5-14(16)18-15/h1-4,13-15,18H,5-10H2/t13?,14?,15?,16-/m1/s1.
What are the key properties of (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane?
(1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane has a molecular weight of 261.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane is sourced from PubChem (CID 163653038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).