2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone

C18H17F3N2O2 — CID 88767095

IUPAC2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone
SMILESCc1oc2ccc3c(c4c(n3C)CCN(C(=O)C(F)(F)F)C4)c2c1C
InChIInChI=1S/C18H17F3N2O2/c1-9-10(2)25-14-5-4-13-16(15(9)14)11-8-23(17(24)18(19,20)21)7-6-12(11)22(13)3/h4-5H,6-8H2,1-3H3
InChIKeyRHIZMPQJVANNHB-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.99
Rot. Bonds

About 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone

2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone (PubChem CID 88767095) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone
PubChem CID88767095
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone
SMILESCc1oc2ccc3c(c4c(n3C)CCN(C(=O)C(F)(F)F)C4)c2c1C
InChIInChI=1S/C18H17F3N2O2/c1-9-10(2)25-14-5-4-13-16(15(9)14)11-8-23(17(24)18(19,20)21)7-6-12(11)22(13)3/h4-5H,6-8H2,1-3H3
InChIKeyRHIZMPQJVANNHB-UHFFFAOYSA-N
XLogP3.99
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone (CID 88767095) is 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone is Cc1oc2ccc3c(c4c(n3C)CCN(C(=O)C(F)(F)F)C4)c2c1C.
What is the InChIKey of 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone?
The InChIKey is RHIZMPQJVANNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-9-10(2)25-14-5-4-13-16(15(9)14)11-8-23(17(24)18(19,20)21)7-6-12(11)22(13)3/h4-5H,6-8H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone?
2,2,2-trifluoro-1-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone has a molecular weight of 350.34 g/mol, XLogP of 3.99, 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-(3,4,10-trimethyl-5-oxa-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaen-14-yl)ethanone is sourced from PubChem (CID 88767095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).