3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C13H18FNO4 — CID 82186946

IUPAC3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOCCN(CCO)C1COc2ccc(F)cc2C1O
InChIInChI=1S/C13H18FNO4/c14-9-1-2-12-10(7-9)13(18)11(8-19-12)15(3-5-16)4-6-17/h1-2,7,11,13,16-18H,3-6,8H2
InChIKeyMAVXEUUYSHANCQ-UHFFFAOYSA-N
MW271.29 g/mol
LogP-0.09
Rot. Bonds5

About 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol

3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186946) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186946
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Name3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOCCN(CCO)C1COc2ccc(F)cc2C1O
InChIInChI=1S/C13H18FNO4/c14-9-1-2-12-10(7-9)13(18)11(8-19-12)15(3-5-16)4-6-17/h1-2,7,11,13,16-18H,3-6,8H2
InChIKeyMAVXEUUYSHANCQ-UHFFFAOYSA-N
XLogP-0.09
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[bis(2-hydroxyethyl)amino]-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 82186979
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188588
6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 82186929
3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187139
[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130937445
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186959
[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol
CID 146120728
4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188579
6-fluoro-2,3-dihydro-1-benzofuran-3-ol
CID 79982529
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 82186946) is 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol is OCCN(CCO)C1COc2ccc(F)cc2C1O.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is MAVXEUUYSHANCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c14-9-1-2-12-10(7-9)13(18)11(8-19-12)15(3-5-16)4-6-17/h1-2,7,11,13,16-18H,3-6,8H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 271.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).