2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone

C18H19F3N2O2 — CID 58123829

IUPAC2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone
SMILESCc1nc2cc3c(cc2o1)[C@]1(C)CCN(C(=O)C(F)(F)F)[C@H](C3)[C@H]1C
InChIInChI=1S/C18H19F3N2O2/c1-9-14-7-11-6-13-15(25-10(2)22-13)8-12(11)17(9,3)4-5-23(14)16(24)18(19,20)21/h6,8-9,14H,4-5,7H2,1-3H3/t9-,14-,17-/m1/s1
InChIKeyVRDAHARSNQIMKV-ZXJZVJERSA-N
MW352.36 g/mol
LogP3.75
Rot. Bonds

About 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone

2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone (PubChem CID 58123829) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone
PubChem CID58123829
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone
SMILESCc1nc2cc3c(cc2o1)[C@]1(C)CCN(C(=O)C(F)(F)F)[C@H](C3)[C@H]1C
InChIInChI=1S/C18H19F3N2O2/c1-9-14-7-11-6-13-15(25-10(2)22-13)8-12(11)17(9,3)4-5-23(14)16(24)18(19,20)21/h6,8-9,14H,4-5,7H2,1-3H3/t9-,14-,17-/m1/s1
InChIKeyVRDAHARSNQIMKV-ZXJZVJERSA-N
XLogP3.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone (CID 58123829) is 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone is Cc1nc2cc3c(cc2o1)[C@]1(C)CCN(C(=O)C(F)(F)F)[C@H](C3)[C@H]1C.
What is the InChIKey of 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone?
The InChIKey is VRDAHARSNQIMKV-ZXJZVJERSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-9-14-7-11-6-13-15(25-10(2)22-13)8-12(11)17(9,3)4-5-23(14)16(24)18(19,20)21/h6,8-9,14H,4-5,7H2,1-3H3/t9-,14-,17-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone?
2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone has a molecular weight of 352.36 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(1R,12R,16S)-1,6,16-trimethyl-5-oxa-7,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),6,9-tetraen-13-yl]ethanone is sourced from PubChem (CID 58123829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).