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

C9H10FNO — CID 46911904

IUPAC(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CCOc2ccc(F)cc21
InChIInChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1
InChIKeyWVQYSVLMDHXHOV-QMMMGPOBSA-N
MW167.18 g/mol
LogP1.61
Rot. Bonds

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

(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 46911904) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID46911904
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CCOc2ccc(F)cc21
InChIInChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1
InChIKeyWVQYSVLMDHXHOV-QMMMGPOBSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 46911904) is (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CCOc2ccc(F)cc21.
What is the InChIKey of (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WVQYSVLMDHXHOV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1.
What are the key properties of (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 167.18 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 46911904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).