(4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one

C13H12Cl2O — CID 10332584

IUPAC(4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one
SMILESO=C1c2c(Cl)ccc(Cl)c2[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H12Cl2O/c14-9-5-6-10(15)12-11(9)7-3-1-2-4-8(7)13(12)16/h5-8H,1-4H2/t7-,8+/m0/s1
InChIKeyAXXHABOOZANHAJ-JGVFFNPUSA-N
MW255.14 g/mol
LogP4.46
Rot. Bonds

About (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one

(4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one (PubChem CID 10332584) has the molecular formula C13H12Cl2O and a molecular weight of 255.14 g/mol. Its IUPAC name is (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one.

Molecular Properties

Compound Name(4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one
PubChem CID10332584
Molecular FormulaC13H12Cl2O
Molecular Weight255.14 g/mol
Exact Mass254.03
IUPAC Name(4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one
SMILESO=C1c2c(Cl)ccc(Cl)c2[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H12Cl2O/c14-9-5-6-10(15)12-11(9)7-3-1-2-4-8(7)13(12)16/h5-8H,1-4H2/t7-,8+/m0/s1
InChIKeyAXXHABOOZANHAJ-JGVFFNPUSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The IUPAC name of (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one (CID 10332584) is (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one.
What is the SMILES notation for (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The canonical SMILES for (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one is O=C1c2c(Cl)ccc(Cl)c2[C@H]2CCCC[C@@H]12.
What is the InChIKey of (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The InChIKey is AXXHABOOZANHAJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C13H12Cl2O/c14-9-5-6-10(15)12-11(9)7-3-1-2-4-8(7)13(12)16/h5-8H,1-4H2/t7-,8+/m0/s1.
What are the key properties of (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one?
(4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one has a molecular weight of 255.14 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aR)-5,8-dichloro-1,2,3,4,4a,9a-hexahydrofluoren-9-one is sourced from PubChem (CID 10332584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).