4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol

C14H17F2NO2 — CID 123782490

IUPAC4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol
SMILESOc1ccc2c(c1)NC(O)C=C2CCCCC(F)F
InChIInChI=1S/C14H17F2NO2/c15-13(16)4-2-1-3-9-7-14(19)17-12-8-10(18)5-6-11(9)12/h5-8,13-14,17-19H,1-4H2
InChIKeyZBXGNDJSSQLNRP-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.35
Rot. Bonds5

About 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol

4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol (PubChem CID 123782490) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol.

Molecular Properties

Compound Name4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol
PubChem CID123782490
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol
SMILESOc1ccc2c(c1)NC(O)C=C2CCCCC(F)F
InChIInChI=1S/C14H17F2NO2/c15-13(16)4-2-1-3-9-7-14(19)17-12-8-10(18)5-6-11(9)12/h5-8,13-14,17-19H,1-4H2
InChIKeyZBXGNDJSSQLNRP-UHFFFAOYSA-N
XLogP3.35
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 22639
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CID 25027904
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CID 524507
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CID 18769512
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CID 23433587
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CID 870739
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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol?
The IUPAC name of 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol (CID 123782490) is 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol.
What is the SMILES notation for 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol?
The canonical SMILES for 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol is Oc1ccc2c(c1)NC(O)C=C2CCCCC(F)F.
What is the InChIKey of 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol?
The InChIKey is ZBXGNDJSSQLNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-13(16)4-2-1-3-9-7-14(19)17-12-8-10(18)5-6-11(9)12/h5-8,13-14,17-19H,1-4H2.
What are the key properties of 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol?
4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol has a molecular weight of 269.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-difluoropentyl)-1,2-dihydroquinoline-2,7-diol is sourced from PubChem (CID 123782490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).