8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione

C17H15Cl2F3O2 — CID 10429777

IUPAC8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)C1(Cl)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H15Cl2F3O2/c18-12-4-3-10(17(20,21)22)7-11(12)16(19)13(23)8-15(9-14(16)24)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2
InChIKeyFHHCTBADEMEWSQ-UHFFFAOYSA-N
MW379.21 g/mol
LogP5.29
Rot. Bonds1

About 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione

8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione (PubChem CID 10429777) has the molecular formula C17H15Cl2F3O2 and a molecular weight of 379.21 g/mol. Its IUPAC name is 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione
PubChem CID10429777
Molecular FormulaC17H15Cl2F3O2
Molecular Weight379.21 g/mol
Exact Mass378.04
IUPAC Name8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)C1(Cl)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H15Cl2F3O2/c18-12-4-3-10(17(20,21)22)7-11(12)16(19)13(23)8-15(9-14(16)24)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2
InChIKeyFHHCTBADEMEWSQ-UHFFFAOYSA-N
XLogP5.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.21
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(1-isocyanatocyclopropyl)-4-(trifluoromethyl)benzene
CID 117408896
1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17479149
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide
CID 119039617
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyanocyclopropane-1-carboxamide
CID 80599070
3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035766
CID 71212803
CID 71212803
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108984030
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792
1-[2-amino-5-(trifluoromethyl)phenyl]cycloheptane-1-carboxylic acid
CID 106702526
(2R)-2-[2-chloro-4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 171575912

Frequently Asked Questions

What is the IUPAC name of 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione?
The IUPAC name of 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione (CID 10429777) is 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)C1(Cl)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione?
The InChIKey is FHHCTBADEMEWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3O2/c18-12-4-3-10(17(20,21)22)7-11(12)16(19)13(23)8-15(9-14(16)24)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione?
8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione has a molecular weight of 379.21 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-8-[2-chloro-5-(trifluoromethyl)phenyl]spiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10429777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).