2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid

C19H18F3NO4 — CID 59492579

IUPAC2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
SMILESCN(CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)CC(=O)O
InChIInChI=1S/C19H18F3NO4/c1-23(11-17(24)25)8-9-27-12-6-7-14-13-4-2-3-5-15(13)18(26,16(14)10-12)19(20,21)22/h2-7,10,26H,8-9,11H2,1H3,(H,24,25)
InChIKeyXGAWTIQKVPQRKG-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.86
Rot. Bonds6

About 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid

2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid (PubChem CID 59492579) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
PubChem CID59492579
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
SMILESCN(CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)CC(=O)O
InChIInChI=1S/C19H18F3NO4/c1-23(11-17(24)25)8-9-27-12-6-7-14-13-4-2-3-5-15(13)18(26,16(14)10-12)19(20,21)22/h2-7,10,26H,8-9,11H2,1H3,(H,24,25)
InChIKeyXGAWTIQKVPQRKG-UHFFFAOYSA-N
XLogP2.86
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid
CID 59492967
5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid
CID 143972678
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutane-1,1-diol
CID 162559010
4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide
CID 143972431
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
3-[2-[4-carbamoyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]propyl formate
CID 143972424
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
3-[2-[(2-amino-2-oxoethyl)-methylamino]ethoxy]benzoic acid
CID 43532655
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
1-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutan-2-one
CID 159298887
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991

Frequently Asked Questions

What is the IUPAC name of 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid (CID 59492579) is 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid is CN(CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)CC(=O)O.
What is the InChIKey of 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid?
The InChIKey is XGAWTIQKVPQRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-23(11-17(24)25)8-9-27-12-6-7-14-13-4-2-3-5-15(13)18(26,16(14)10-12)19(20,21)22/h2-7,10,26H,8-9,11H2,1H3,(H,24,25).
What are the key properties of 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid?
2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid has a molecular weight of 381.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid is sourced from PubChem (CID 59492579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).