(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene

C10H11FO — CID 89270556

IUPAC(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
SMILESC[C@H]1CCOc2c(F)cccc21
InChIInChI=1S/C10H11FO/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3/t7-/m0/s1
InChIKeyPAFZCZVVRQHYKJ-ZETCQYMHSA-N
MW166.19 g/mol
LogP2.71
Rot. Bonds

About (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene

(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene (PubChem CID 89270556) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
PubChem CID89270556
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
SMILESC[C@H]1CCOc2c(F)cccc21
InChIInChI=1S/C10H11FO/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3/t7-/m0/s1
InChIKeyPAFZCZVVRQHYKJ-ZETCQYMHSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene (CID 89270556) is (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene is C[C@H]1CCOc2c(F)cccc21.
What is the InChIKey of (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene?
The InChIKey is PAFZCZVVRQHYKJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11FO/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene?
(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene has a molecular weight of 166.19 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 89270556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).