(1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one

C18H21FN2O — CID 163443078

IUPAC(1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
SMILESCn1c2c(c(=O)n1-c1ccccc1F)C1CC[C@]2(C)C1(C)C
InChIInChI=1S/C18H21FN2O/c1-17(2)11-9-10-18(17,3)15-14(11)16(22)21(20(15)4)13-8-6-5-7-12(13)19/h5-8,11H,9-10H2,1-4H3/t11?,18-/m0/s1
InChIKeyBAFMSXFMPUQEBK-MCEAHNFKSA-N
MW300.38 g/mol
LogP3.49
Rot. Bonds1

About (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one

(1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one (PubChem CID 163443078) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one.

Molecular Properties

Compound Name(1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
PubChem CID163443078
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name(1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
SMILESCn1c2c(c(=O)n1-c1ccccc1F)C1CC[C@]2(C)C1(C)C
InChIInChI=1S/C18H21FN2O/c1-17(2)11-9-10-18(17,3)15-14(11)16(22)21(20(15)4)13-8-6-5-7-12(13)19/h5-8,11H,9-10H2,1-4H3/t11?,18-/m0/s1
InChIKeyBAFMSXFMPUQEBK-MCEAHNFKSA-N
XLogP3.49
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?
The IUPAC name of (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one (CID 163443078) is (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one.
What is the SMILES notation for (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?
The canonical SMILES for (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one is Cn1c2c(c(=O)n1-c1ccccc1F)C1CC[C@]2(C)C1(C)C.
What is the InChIKey of (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?
The InChIKey is BAFMSXFMPUQEBK-MCEAHNFKSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-17(2)11-9-10-18(17,3)15-14(11)16(22)21(20(15)4)13-8-6-5-7-12(13)19/h5-8,11H,9-10H2,1-4H3/t11?,18-/m0/s1.
What are the key properties of (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?
(1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one has a molecular weight of 300.38 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(2-fluorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one is sourced from PubChem (CID 163443078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).