4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol

C19H18ClF3O3 — CID 59492741

IUPAC4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18ClF3O3/c20-16-11-12(26-9-5-1-4-8-24)10-15-17(16)13-6-2-3-7-14(13)18(15,25)19(21,22)23/h2-3,6-7,10-11,24-25H,1,4-5,8-9H2
InChIKeyCNQZCJOIUJPHOE-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.66
Rot. Bonds6

About 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol

4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492741) has the molecular formula C19H18ClF3O3 and a molecular weight of 386.80 g/mol. Its IUPAC name is 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492741
Molecular FormulaC19H18ClF3O3
Molecular Weight386.80 g/mol
Exact Mass386.09
IUPAC Name4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18ClF3O3/c20-16-11-12(26-9-5-1-4-8-24)10-15-17(16)13-6-2-3-7-14(13)18(15,25)19(21,22)23/h2-3,6-7,10-11,24-25H,1,4-5,8-9H2
InChIKeyCNQZCJOIUJPHOE-UHFFFAOYSA-N
XLogP4.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.66
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

2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
(4-Chloro-9-hydroxy-9-trifluoromethyl-9h-fluoren-2-yloxy)-acetic acid methyl ester
CID 59492703
4-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492709
2-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492816
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide
CID 59492829
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
2-(6-Hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492866
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide
CID 59492991
5-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492993
2-(4-Hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 59492741) is 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol is OCCCCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is CNQZCJOIUJPHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3O3/c20-16-11-12(26-9-5-1-4-8-24)10-15-17(16)13-6-2-3-7-14(13)18(15,25)19(21,22)23/h2-3,6-7,10-11,24-25H,1,4-5,8-9H2.
What are the key properties of 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol?
4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 386.80 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).