8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol

C15H21ClFNO2 — CID 82188656

IUPAC8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
SMILESCCCN(CCC)C1c2cc(F)cc(Cl)c2OCC1O
InChIInChI=1S/C15H21ClFNO2/c1-3-5-18(6-4-2)14-11-7-10(17)8-12(16)15(11)20-9-13(14)19/h7-8,13-14,19H,3-6,9H2,1-2H3
InChIKeyHMTLIILGJXYAAR-UHFFFAOYSA-N
MW301.79 g/mol
LogP3.40
Rot. Bonds5

About 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol

8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188656) has the molecular formula C15H21ClFNO2 and a molecular weight of 301.79 g/mol. Its IUPAC name is 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188656
Molecular FormulaC15H21ClFNO2
Molecular Weight301.79 g/mol
Exact Mass301.12
IUPAC Name8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
SMILESCCCN(CCC)C1c2cc(F)cc(Cl)c2OCC1O
InChIInChI=1S/C15H21ClFNO2/c1-3-5-18(6-4-2)14-11-7-10(17)8-12(16)15(11)20-9-13(14)19/h7-8,13-14,19H,3-6,9H2,1-2H3
InChIKeyHMTLIILGJXYAAR-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol (CID 82188656) is 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol is CCCN(CCC)C1c2cc(F)cc(Cl)c2OCC1O.
What is the InChIKey of 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is HMTLIILGJXYAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2/c1-3-5-18(6-4-2)14-11-7-10(17)8-12(16)15(11)20-9-13(14)19/h7-8,13-14,19H,3-6,9H2,1-2H3.
What are the key properties of 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 301.79 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).