2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol

C15H12Cl3NO — CID 3246472

IUPAC2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol
SMILESOCCN[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H12Cl3NO/c16-8-1-2-10-11(5-8)15(19-3-4-20)12-6-9(17)7-13(18)14(10)12/h1-2,5-7,15,19-20H,3-4H2/t15-/m1/s1
InChIKeyDUJIUZARXIXFNP-OAHLLOKOSA-N
MW328.63 g/mol
LogP4.30
Rot. Bonds3

About 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol

2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol (PubChem CID 3246472) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol
PubChem CID3246472
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol
SMILESOCCN[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H12Cl3NO/c16-8-1-2-10-11(5-8)15(19-3-4-20)12-6-9(17)7-13(18)14(10)12/h1-2,5-7,15,19-20H,3-4H2/t15-/m1/s1
InChIKeyDUJIUZARXIXFNP-OAHLLOKOSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol?
The IUPAC name of 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol (CID 3246472) is 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol.
What is the SMILES notation for 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol?
The canonical SMILES for 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol is OCCN[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol?
The InChIKey is DUJIUZARXIXFNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-8-1-2-10-11(5-8)15(19-3-4-20)12-6-9(17)7-13(18)14(10)12/h1-2,5-7,15,19-20H,3-4H2/t15-/m1/s1.
What are the key properties of 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol?
2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol has a molecular weight of 328.63 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(9R)-2,4,7-trichloro-9H-fluoren-9-yl]amino]ethanol is sourced from PubChem (CID 3246472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).