(6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol

C10H10FNO4 — CID 18694150

IUPAC(6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol
SMILESO=[N+]([O-])c1cc(F)cc2c1OC(CO)CC2
InChIInChI=1S/C10H10FNO4/c11-7-3-6-1-2-8(5-13)16-10(6)9(4-7)12(14)15/h3-4,8,13H,1-2,5H2
InChIKeyMRMNAMQARZTPGK-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.42
Rot. Bonds2

About (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol

(6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol (PubChem CID 18694150) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol
PubChem CID18694150
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name(6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol
SMILESO=[N+]([O-])c1cc(F)cc2c1OC(CO)CC2
InChIInChI=1S/C10H10FNO4/c11-7-3-6-1-2-8(5-13)16-10(6)9(4-7)12(14)15/h3-4,8,13H,1-2,5H2
InChIKeyMRMNAMQARZTPGK-UHFFFAOYSA-N
XLogP1.42
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-fluoro-8-pyrrol-1-yl-3,4-dihydro-2H-chromen-2-yl)methanol;methanesulfonic acid
CID 174304630
(7-nitro-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 11063317
6,8-dinitro-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 117060172
(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline
CID 92982227
(2S)-2-bromo-5-fluoro-7-nitro-1-benzofuran-3-one
CID 99770542
2-[2-(bromomethyl)-5-fluoro-3-nitrophenyl]acetic acid
CID 171011427
5-fluoro-7-nitro-2,3-dihydro-1H-indole
CID 138106117
[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol
CID 71056694
[(2S)-7-methoxy-5-nitro-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
CID 129411470
4-fluoro-2-(hydroxymethyl)-6-nitrophenol
CID 117280586
1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
CID 69117687
[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117682

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol?
The IUPAC name of (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol (CID 18694150) is (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol.
What is the SMILES notation for (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol?
The canonical SMILES for (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol is O=[N+]([O-])c1cc(F)cc2c1OC(CO)CC2.
What is the InChIKey of (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol?
The InChIKey is MRMNAMQARZTPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c11-7-3-6-1-2-8(5-13)16-10(6)9(4-7)12(14)15/h3-4,8,13H,1-2,5H2.
What are the key properties of (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol?
(6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol has a molecular weight of 227.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-8-nitro-3,4-dihydro-2H-chromen-2-yl)methanol is sourced from PubChem (CID 18694150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).