(9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one

C16H15F3O2 — CID 102485619

IUPAC(9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one
SMILESCc1ccc2c(c1)C[C@]1(C(F)(F)F)C(=O)OC(C)(C)C=C21
InChIInChI=1S/C16H15F3O2/c1-9-4-5-11-10(6-9)7-15(16(17,18)19)12(11)8-14(2,3)21-13(15)20/h4-6,8H,7H2,1-3H3/t15-/m1/s1
InChIKeyXTHSRXNRTDNZBC-OAHLLOKOSA-N
MW296.29 g/mol
LogP3.82
Rot. Bonds

About (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one

(9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one (PubChem CID 102485619) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one.

Molecular Properties

Compound Name(9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one
PubChem CID102485619
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name(9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one
SMILESCc1ccc2c(c1)C[C@]1(C(F)(F)F)C(=O)OC(C)(C)C=C21
InChIInChI=1S/C16H15F3O2/c1-9-4-5-11-10(6-9)7-15(16(17,18)19)12(11)8-14(2,3)21-13(15)20/h4-6,8H,7H2,1-3H3/t15-/m1/s1
InChIKeyXTHSRXNRTDNZBC-OAHLLOKOSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one with MolForge

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Related Compounds

methyl 3-(trifluoromethyl)-9H-fluorene-9-carboxylate
CID 101809655
tert-butyl (1R,2S)-1-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylate
CID 101960423
tert-butyl (2R,3S)-3-hydroxy-6-methyl-3-(2-methylprop-2-enyl)-2-(trifluoromethyl)-1H-indene-2-carboxylate
CID 102485623
tert-butyl (2R)-6-methyl-3-oxo-2-(trifluoromethyl)-1H-indene-2-carboxylate
CID 134945936
methyl (2S,3Z)-3-(2-methoxy-2-oxoethylidene)-2-methyl-1-oxo-5-(trifluoromethyl)indene-2-carboxylate
CID 134967018
dimethyl (3Z)-3-(2-methoxy-2-oxoethylidene)-5-(trifluoromethyl)-1H-indene-2,2-dicarboxylate
CID 134967179
Methyl 9-(difluoromethyl)fluorene-9-carboxylate
CID 138967652
methyl 2-(trifluoromethyl)-9H-fluorene-9-carboxylate
CID 139254057
6'-Fluoro-6'-methylspiro[1,3-dihydroindene-2,3'-oxane]-2'-one
CID 177851429
2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 59330971
[1-(9H-fluoren-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate
CID 59330983
(1-Propyl-2,3-dihydroinden-1-yl) 2-methyl-2-(trifluoromethyl)butanoate
CID 59330985

Frequently Asked Questions

What is the IUPAC name of (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one?
The IUPAC name of (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one (CID 102485619) is (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one.
What is the SMILES notation for (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one?
The canonical SMILES for (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one is Cc1ccc2c(c1)C[C@]1(C(F)(F)F)C(=O)OC(C)(C)C=C21.
What is the InChIKey of (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one?
The InChIKey is XTHSRXNRTDNZBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-9-4-5-11-10(6-9)7-15(16(17,18)19)12(11)8-14(2,3)21-13(15)20/h4-6,8H,7H2,1-3H3/t15-/m1/s1.
What are the key properties of (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one?
(9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one has a molecular weight of 296.29 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-3,3,7-trimethyl-9a-(trifluoromethyl)-9H-indeno[2,1-c]pyran-1-one is sourced from PubChem (CID 102485619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).