(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine

C9H10FNO — CID 51557186

IUPAC(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
SMILESN[C@@H]1COc2ccc(F)cc2C1
InChIInChI=1S/C9H10FNO/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5,11H2/t8-/m0/s1
InChIKeyLETPIFPZROEKBV-QMMMGPOBSA-N
MW167.18 g/mol
LogP1.09
Rot. Bonds

About (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine

(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine (PubChem CID 51557186) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
PubChem CID51557186
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
SMILESN[C@@H]1COc2ccc(F)cc2C1
InChIInChI=1S/C9H10FNO/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5,11H2/t8-/m0/s1
InChIKeyLETPIFPZROEKBV-QMMMGPOBSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82600925
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
CID 143996502
6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
CID 151913158
6-fluoro-3-nitro-3,4-dihydro-2H-chromene
CID 55268431
6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
CID 143211285
6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine
CID 146450869
(3R)-7-chloro-3,4-dihydro-2H-chromen-3-amine
CID 92966039
6-pyridin-2-yl-3,4-dihydro-2H-chromen-3-amine;dihydrochloride
CID 146450870
[(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
7-fluoro-3-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 146205394

Frequently Asked Questions

What is the IUPAC name of (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine (CID 51557186) is (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine is N[C@@H]1COc2ccc(F)cc2C1.
What is the InChIKey of (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is LETPIFPZROEKBV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10FNO/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5,11H2/t8-/m0/s1.
What are the key properties of (3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine?
(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 167.18 g/mol, XLogP of 1.09, 0 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-amine is sourced from PubChem (CID 51557186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).