4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

C19H22F3NO7 — CID 3146277

IUPAC4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCC1(C)OC2OC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C19H22F3NO7/c1-17(2)27-11-12(28-17)14-16(30-18(3,4)29-14)25-13(11)15(24)23-9-5-7-10(8-6-9)26-19(20,21)22/h5-8,11-14,16H,1-4H3,(H,23,24)
InChIKeyDYPWYALADNLMHN-UHFFFAOYSA-N
MW433.38 g/mol
LogP2.92
Rot. Bonds3

About 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (PubChem CID 3146277) has the molecular formula C19H22F3NO7 and a molecular weight of 433.38 g/mol. Its IUPAC name is 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.

Molecular Properties

Compound Name4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
PubChem CID3146277
Molecular FormulaC19H22F3NO7
Molecular Weight433.38 g/mol
Exact Mass433.13
IUPAC Name4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCC1(C)OC2OC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C19H22F3NO7/c1-17(2)27-11-12(28-17)14-16(30-18(3,4)29-14)25-13(11)15(24)23-9-5-7-10(8-6-9)26-19(20,21)22/h5-8,11-14,16H,1-4H3,(H,23,24)
InChIKeyDYPWYALADNLMHN-UHFFFAOYSA-N
XLogP2.92
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The IUPAC name of 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (CID 3146277) is 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
What is the SMILES notation for 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The canonical SMILES for 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is CC1(C)OC2OC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C3OC(C)(C)OC3C2O1.
What is the InChIKey of 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The InChIKey is DYPWYALADNLMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO7/c1-17(2)27-11-12(28-17)14-16(30-18(3,4)29-14)25-13(11)15(24)23-9-5-7-10(8-6-9)26-19(20,21)22/h5-8,11-14,16H,1-4H3,(H,23,24).
What are the key properties of 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide has a molecular weight of 433.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,11,11-tetramethyl-N-[4-(trifluoromethoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is sourced from PubChem (CID 3146277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).