2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine

C23H20F3NO4 — CID 143972550

IUPAC2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine
SMILESC[C@H](N)c1ccccc1.O=C(O)c1cc(O)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H9F3O4.C8H11N/c16-15(17,18)14(22)10-4-2-1-3-8(10)12-9(13(20)21)5-7(19)6-11(12)14;1-7(9)8-5-3-2-4-6-8/h1-6,19,22H,(H,20,21);2-7H,9H2,1H3/t;7-/m.0/s1
InChIKeyRYWUEDFXUFKSFS-ZLTKDMPESA-N
MW431.41 g/mol
LogP4.58
Rot. Bonds2

About 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine

2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine (PubChem CID 143972550) has the molecular formula C23H20F3NO4 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine.

Molecular Properties

Compound Name2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine
PubChem CID143972550
Molecular FormulaC23H20F3NO4
Molecular Weight431.41 g/mol
Exact Mass431.13
IUPAC Name2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine
SMILESC[C@H](N)c1ccccc1.O=C(O)c1cc(O)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H9F3O4.C8H11N/c16-15(17,18)14(22)10-4-2-1-3-8(10)12-9(13(20)21)5-7(19)6-11(12)14;1-7(9)8-5-3-2-4-6-8/h1-6,19,22H,(H,20,21);2-7H,9H2,1H3/t;7-/m.0/s1
InChIKeyRYWUEDFXUFKSFS-ZLTKDMPESA-N
XLogP4.58
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

bis(4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxylic acid);(1S)-1-phenylethanamine
CID 158464520
ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59493198
aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
CID 59492958
bis(2-[4-chloro-2-methyl-9-(trifluoromethyl)fluoren-9-yl]oxyacetic acid);(1R)-1-phenylethanamine
CID 161190718
4-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492630
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
3-(1-aminoethyl)-5-hydroxybenzoic acid
CID 130001368
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
4-chloro-2-phenyl-9-(trifluoromethyl)fluoren-9-ol
CID 70902688
benzene-1,2-diol;1-phenylethanamine
CID 174442381
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
methanol;molecular fluorine;1-phenylethanamine;hydrate
CID 144635435

Frequently Asked Questions

What is the IUPAC name of 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine?
The IUPAC name of 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine (CID 143972550) is 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine.
What is the SMILES notation for 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine?
The canonical SMILES for 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine is C[C@H](N)c1ccccc1.O=C(O)c1cc(O)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine?
The InChIKey is RYWUEDFXUFKSFS-ZLTKDMPESA-N. The full InChI is InChI=1S/C15H9F3O4.C8H11N/c16-15(17,18)14(22)10-4-2-1-3-8(10)12-9(13(20)21)5-7(19)6-11(12)14;1-7(9)8-5-3-2-4-6-8/h1-6,19,22H,(H,20,21);2-7H,9H2,1H3/t;7-/m.0/s1.
What are the key properties of 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine?
2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine has a molecular weight of 431.41 g/mol, XLogP of 4.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dihydroxy-9-(trifluoromethyl)fluorene-4-carboxylic acid;(1S)-1-phenylethanamine is sourced from PubChem (CID 143972550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).