8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one

C15H11ClF4O2 — CID 23545795

IUPAC8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one
SMILESCC12CCC(=O)C(C(F)(F)F)=C1c1cc(F)c(O)c(Cl)c1C2
InChIInChI=1S/C15H11ClF4O2/c1-14-3-2-9(21)11(15(18,19)20)10(14)6-4-8(17)13(22)12(16)7(6)5-14/h4,22H,2-3,5H2,1H3
InChIKeyYGWPYPBFBTVHLF-UHFFFAOYSA-N
MW334.70 g/mol
LogP4.43
Rot. Bonds

About 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one

8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one (PubChem CID 23545795) has the molecular formula C15H11ClF4O2 and a molecular weight of 334.70 g/mol. Its IUPAC name is 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one.

Molecular Properties

Compound Name8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one
PubChem CID23545795
Molecular FormulaC15H11ClF4O2
Molecular Weight334.70 g/mol
Exact Mass334.04
IUPAC Name8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one
SMILESCC12CCC(=O)C(C(F)(F)F)=C1c1cc(F)c(O)c(Cl)c1C2
InChIInChI=1S/C15H11ClF4O2/c1-14-3-2-9(21)11(15(18,19)20)10(14)6-4-8(17)13(22)12(16)7(6)5-14/h4,22H,2-3,5H2,1H3
InChIKeyYGWPYPBFBTVHLF-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.70
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one?
The IUPAC name of 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one (CID 23545795) is 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one.
What is the SMILES notation for 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one?
The canonical SMILES for 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one is CC12CCC(=O)C(C(F)(F)F)=C1c1cc(F)c(O)c(Cl)c1C2.
What is the InChIKey of 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one?
The InChIKey is YGWPYPBFBTVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4O2/c1-14-3-2-9(21)11(15(18,19)20)10(14)6-4-8(17)13(22)12(16)7(6)5-14/h4,22H,2-3,5H2,1H3.
What are the key properties of 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one?
8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one has a molecular weight of 334.70 g/mol, XLogP of 4.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-7-hydroxy-9a-methyl-4-(trifluoromethyl)-2,9-dihydro-1H-fluoren-3-one is sourced from PubChem (CID 23545795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).