2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol

C15H10ClF3O2 — CID 59493070

IUPAC2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCc1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H10ClF3O2/c16-9-5-8(7-20)13-10-3-1-2-4-11(10)14(21,12(13)6-9)15(17,18)19/h1-6,20-21H,7H2
InChIKeyNLKOQXVLWUHSKI-UHFFFAOYSA-N
MW314.69 g/mol
LogP3.61
Rot. Bonds1

About 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol

2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493070) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493070
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCc1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H10ClF3O2/c16-9-5-8(7-20)13-10-3-1-2-4-11(10)14(21,12(13)6-9)15(17,18)19/h1-6,20-21H,7H2
InChIKeyNLKOQXVLWUHSKI-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59493070) is 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol is OCc1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is NLKOQXVLWUHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c16-9-5-8(7-20)13-10-3-1-2-4-11(10)14(21,12(13)6-9)15(17,18)19/h1-6,20-21H,7H2.
What are the key properties of 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 314.69 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).