2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene

C14H15FO3 — CID 58400519

IUPAC2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene
SMILESCC1(C)OC[C@@H](C2C=Cc3cc(F)ccc3O2)O1
InChIInChI=1S/C14H15FO3/c1-14(2)16-8-13(18-14)12-5-3-9-7-10(15)4-6-11(9)17-12/h3-7,12-13H,8H2,1-2H3/t12?,13-/m0/s1
InChIKeyPYGMAHPTXWUIAI-ABLWVSNPSA-N
MW250.27 g/mol
LogP2.75
Rot. Bonds1

About 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene (PubChem CID 58400519) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene
PubChem CID58400519
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene
SMILESCC1(C)OC[C@@H](C2C=Cc3cc(F)ccc3O2)O1
InChIInChI=1S/C14H15FO3/c1-14(2)16-8-13(18-14)12-5-3-9-7-10(15)4-6-11(9)17-12/h3-7,12-13H,8H2,1-2H3/t12?,13-/m0/s1
InChIKeyPYGMAHPTXWUIAI-ABLWVSNPSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene?
The IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene (CID 58400519) is 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene is CC1(C)OC[C@@H](C2C=Cc3cc(F)ccc3O2)O1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene?
The InChIKey is PYGMAHPTXWUIAI-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H15FO3/c1-14(2)16-8-13(18-14)12-5-3-9-7-10(15)4-6-11(9)17-12/h3-7,12-13H,8H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene?
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene has a molecular weight of 250.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene is sourced from PubChem (CID 58400519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).