heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one

C24H29F3O4 — CID 143972529

IUPACheptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one
SMILESCC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CCCC(O)CCC
InChIInChI=1S/C17H13F3O3.C7H16O/c1-10(21)9-23-11-6-7-13-12-4-2-3-5-14(12)16(22,15(13)8-11)17(18,19)20;1-3-5-7(8)6-4-2/h2-8,22H,9H2,1H3;7-8H,3-6H2,1-2H3
InChIKeyHFJXVDLSTWZGEF-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.38
Rot. Bonds7

About heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one

heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one (PubChem CID 143972529) has the molecular formula C24H29F3O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one.

Molecular Properties

Compound Nameheptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one
PubChem CID143972529
Molecular FormulaC24H29F3O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Nameheptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one
SMILESCC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CCCC(O)CCC
InChIInChI=1S/C17H13F3O3.C7H16O/c1-10(21)9-23-11-6-7-13-12-4-2-3-5-14(12)16(22,15(13)8-11)17(18,19)20;1-3-5-7(8)6-4-2/h2-8,22H,9H2,1H3;7-8H,3-6H2,1-2H3
InChIKeyHFJXVDLSTWZGEF-UHFFFAOYSA-N
XLogP5.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
5-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492626
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675
Ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoate
CID 59492815
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843

Frequently Asked Questions

What is the IUPAC name of heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one?
The IUPAC name of heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one (CID 143972529) is heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one.
What is the SMILES notation for heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one?
The canonical SMILES for heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one is CC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CCCC(O)CCC.
What is the InChIKey of heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one?
The InChIKey is HFJXVDLSTWZGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O3.C7H16O/c1-10(21)9-23-11-6-7-13-12-4-2-3-5-14(12)16(22,15(13)8-11)17(18,19)20;1-3-5-7(8)6-4-2/h2-8,22H,9H2,1H3;7-8H,3-6H2,1-2H3.
What are the key properties of heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one?
heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one has a molecular weight of 438.49 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-ol;1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one is sourced from PubChem (CID 143972529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).