[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine

C10H12FNO — CID 96628424

IUPAC[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESNC[C@H]1COc2ccc(F)cc2C1
InChIInChI=1S/C10H12FNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7H,3,5-6,12H2/t7-/m0/s1
InChIKeyZYOVOLVNERRAJQ-ZETCQYMHSA-N
MW181.21 g/mol
LogP1.34
Rot. Bonds1

About [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine

[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine (PubChem CID 96628424) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
PubChem CID96628424
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESNC[C@H]1COc2ccc(F)cc2C1
InChIInChI=1S/C10H12FNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7H,3,5-6,12H2/t7-/m0/s1
InChIKeyZYOVOLVNERRAJQ-ZETCQYMHSA-N
XLogP1.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 51557186
6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
CID 151913158
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
CID 143996502
7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82600925
[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112466
[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112467
6-fluoro-3-nitro-3,4-dihydro-2H-chromene
CID 55268431
6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
CID 143211285
(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 82408944
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030

Frequently Asked Questions

What is the IUPAC name of [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine?
The IUPAC name of [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine (CID 96628424) is [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine.
What is the SMILES notation for [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine?
The canonical SMILES for [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine is NC[C@H]1COc2ccc(F)cc2C1.
What is the InChIKey of [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine?
The InChIKey is ZYOVOLVNERRAJQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7H,3,5-6,12H2/t7-/m0/s1.
What are the key properties of [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine?
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine has a molecular weight of 181.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine is sourced from PubChem (CID 96628424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).