2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol

C19H20F3NO2 — CID 59492528

IUPAC2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
SMILESCN(C)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H20F3NO2/c1-23(2)10-5-11-25-13-8-9-15-14-6-3-4-7-16(14)18(24,17(15)12-13)19(20,21)22/h3-4,6-9,12,24H,5,10-11H2,1-2H3
InChIKeyCQLREDPVOVHISA-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.80
Rot. Bonds5

About 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol

2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492528) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492528
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
SMILESCN(C)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H20F3NO2/c1-23(2)10-5-11-25-13-8-9-15-14-6-3-4-7-16(14)18(24,17(15)12-13)19(20,21)22/h3-4,6-9,12,24H,5,10-11H2,1-2H3
InChIKeyCQLREDPVOVHISA-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol (CID 59492528) is 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol is CN(C)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is CQLREDPVOVHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-23(2)10-5-11-25-13-8-9-15-14-6-3-4-7-16(14)18(24,17(15)12-13)19(20,21)22/h3-4,6-9,12,24H,5,10-11H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol?
2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 351.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).