6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid

C20H19F3O4 — CID 59492967

IUPAC6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid
SMILESO=C(O)CCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H19F3O4/c21-20(22,23)19(26)16-7-4-3-6-14(16)15-10-9-13(12-17(15)19)27-11-5-1-2-8-18(24)25/h3-4,6-7,9-10,12,26H,1-2,5,8,11H2,(H,24,25)
InChIKeyJZDVRRMEAJFQCB-UHFFFAOYSA-N
MW380.36 g/mol
LogP4.49
Rot. Bonds7

About 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid

6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid (PubChem CID 59492967) has the molecular formula C20H19F3O4 and a molecular weight of 380.36 g/mol. Its IUPAC name is 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid.

Molecular Properties

Compound Name6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid
PubChem CID59492967
Molecular FormulaC20H19F3O4
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid
SMILESO=C(O)CCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H19F3O4/c21-20(22,23)19(26)16-7-4-3-6-14(16)15-10-9-13(12-17(15)19)27-11-5-1-2-8-18(24)25/h3-4,6-7,9-10,12,26H,1-2,5,8,11H2,(H,24,25)
InChIKeyJZDVRRMEAJFQCB-UHFFFAOYSA-N
XLogP4.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid
CID 143972678
ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
CID 59492579
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
1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one
CID 162559119
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
9-phenoxynonanoic acid
CID 15887638
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
CID 142555258
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
4-(7-carboxyheptoxy)benzoic acid
CID 54128004

Frequently Asked Questions

What is the IUPAC name of 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid?
The IUPAC name of 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid (CID 59492967) is 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid.
What is the SMILES notation for 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid?
The canonical SMILES for 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid is O=C(O)CCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid?
The InChIKey is JZDVRRMEAJFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O4/c21-20(22,23)19(26)16-7-4-3-6-14(16)15-10-9-13(12-17(15)19)27-11-5-1-2-8-18(24)25/h3-4,6-7,9-10,12,26H,1-2,5,8,11H2,(H,24,25).
What are the key properties of 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid?
6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid has a molecular weight of 380.36 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid is sourced from PubChem (CID 59492967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).