(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane

C17H20F4OTe — CID 15320505

IUPAC(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
SMILESCC1(C)[C@@H]2CC[C@]13C[Te](F)(c1ccc(C(F)(F)F)cc1)O[C@@H]3C2
InChIInChI=1S/C17H20F4OTe/c1-15(2)12-7-8-16(15)10-23(21,22-14(16)9-12)13-5-3-11(4-6-13)17(18,19)20/h3-6,12,14H,7-10H2,1-2H3/t12-,14-,16-/m1/s1
InChIKeyNTWZCJBUAOTWEQ-XNRPHZJLSA-N
MW443.94 g/mol
LogP4.55
Rot. Bonds1

About (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane

(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane (PubChem CID 15320505) has the molecular formula C17H20F4OTe and a molecular weight of 443.94 g/mol. Its IUPAC name is (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane.

Molecular Properties

Compound Name(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
PubChem CID15320505
Molecular FormulaC17H20F4OTe
Molecular Weight443.94 g/mol
Exact Mass446.05
IUPAC Name(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
SMILESCC1(C)[C@@H]2CC[C@]13C[Te](F)(c1ccc(C(F)(F)F)cc1)O[C@@H]3C2
InChIInChI=1S/C17H20F4OTe/c1-15(2)12-7-8-16(15)10-23(21,22-14(16)9-12)13-5-3-11(4-6-13)17(18,19)20/h3-6,12,14H,7-10H2,1-2H3/t12-,14-,16-/m1/s1
InChIKeyNTWZCJBUAOTWEQ-XNRPHZJLSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane?
The IUPAC name of (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane (CID 15320505) is (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane.
What is the SMILES notation for (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane?
The canonical SMILES for (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane is CC1(C)[C@@H]2CC[C@]13C[Te](F)(c1ccc(C(F)(F)F)cc1)O[C@@H]3C2.
What is the InChIKey of (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane?
The InChIKey is NTWZCJBUAOTWEQ-XNRPHZJLSA-N. The full InChI is InChI=1S/C17H20F4OTe/c1-15(2)12-7-8-16(15)10-23(21,22-14(16)9-12)13-5-3-11(4-6-13)17(18,19)20/h3-6,12,14H,7-10H2,1-2H3/t12-,14-,16-/m1/s1.
What are the key properties of (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane?
(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane has a molecular weight of 443.94 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane is sourced from PubChem (CID 15320505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).