(7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene

C10H11F3O — CID 134318704

IUPAC(7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene
SMILESC[C@H]1C=CC(=CC=C1C)OC(F)(F)F
InChIInChI=1S/C10H11F3O/c1-7-3-5-9(6-4-8(7)2)14-10(11,12)13/h3-7H,1-2H3/t7-/m0/s1
InChIKeyDAATXRGMBSSBLI-ZETCQYMHSA-N
MW204.19 g/mol
LogP3.80
Rot. Bonds1

About (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene

(7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene (PubChem CID 134318704) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name(7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene
PubChem CID134318704
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name(7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene
SMILESC[C@H]1C=CC(=CC=C1C)OC(F)(F)F
InChIInChI=1S/C10H11F3O/c1-7-3-5-9(6-4-8(7)2)14-10(11,12)13/h3-7H,1-2H3/t7-/m0/s1
InChIKeyDAATXRGMBSSBLI-ZETCQYMHSA-N
XLogP3.80
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity297

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene?
The IUPAC name of (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene (CID 134318704) is (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene.
What is the SMILES notation for (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene?
The canonical SMILES for (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene is C[C@H]1C=CC(=CC=C1C)OC(F)(F)F.
What is the InChIKey of (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene?
The InChIKey is DAATXRGMBSSBLI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F3O/c1-7-3-5-9(6-4-8(7)2)14-10(11,12)13/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene?
(7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene has a molecular weight of 204.19 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1,7-dimethyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene is sourced from PubChem (CID 134318704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).