3-fluoro-2,2,3,4,4,5,7-heptamethylchromene

C16H23FO — CID 58660642

IUPAC3-fluoro-2,2,3,4,4,5,7-heptamethylchromene
SMILESCc1cc(C)c2c(c1)OC(C)(C)C(C)(F)C2(C)C
InChIInChI=1S/C16H23FO/c1-10-8-11(2)13-12(9-10)18-15(5,6)16(7,17)14(13,3)4/h8-9H,1-7H3
InChIKeyIVNCKXPBCMLAAN-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.48
Rot. Bonds

About 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene

3-fluoro-2,2,3,4,4,5,7-heptamethylchromene (PubChem CID 58660642) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene.

Molecular Properties

Compound Name3-fluoro-2,2,3,4,4,5,7-heptamethylchromene
PubChem CID58660642
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name3-fluoro-2,2,3,4,4,5,7-heptamethylchromene
SMILESCc1cc(C)c2c(c1)OC(C)(C)C(C)(F)C2(C)C
InChIInChI=1S/C16H23FO/c1-10-8-11(2)13-12(9-10)18-15(5,6)16(7,17)14(13,3)4/h8-9H,1-7H3
InChIKeyIVNCKXPBCMLAAN-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene?
The IUPAC name of 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene (CID 58660642) is 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene.
What is the SMILES notation for 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene?
The canonical SMILES for 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene is Cc1cc(C)c2c(c1)OC(C)(C)C(C)(F)C2(C)C.
What is the InChIKey of 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene?
The InChIKey is IVNCKXPBCMLAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-10-8-11(2)13-12(9-10)18-15(5,6)16(7,17)14(13,3)4/h8-9H,1-7H3.
What are the key properties of 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene?
3-fluoro-2,2,3,4,4,5,7-heptamethylchromene has a molecular weight of 250.36 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2,3,4,4,5,7-heptamethylchromene is sourced from PubChem (CID 58660642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).