2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid

C15H17FO3 — CID 143004395

IUPAC2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid
SMILESCc1ccc2c(c1C)OC(C(C)(C)F)C(C(=O)O)=C2
InChIInChI=1S/C15H17FO3/c1-8-5-6-10-7-11(14(17)18)13(15(3,4)16)19-12(10)9(8)2/h5-7,13H,1-4H3,(H,17,18)
InChIKeyYQFXKLOXVSHKRQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.28
Rot. Bonds2

About 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid

2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid (PubChem CID 143004395) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid
PubChem CID143004395
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid
SMILESCc1ccc2c(c1C)OC(C(C)(C)F)C(C(=O)O)=C2
InChIInChI=1S/C15H17FO3/c1-8-5-6-10-7-11(14(17)18)13(15(3,4)16)19-12(10)9(8)2/h5-7,13H,1-4H3,(H,17,18)
InChIKeyYQFXKLOXVSHKRQ-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid?
The IUPAC name of 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid (CID 143004395) is 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid is Cc1ccc2c(c1C)OC(C(C)(C)F)C(C(=O)O)=C2.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid?
The InChIKey is YQFXKLOXVSHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-8-5-6-10-7-11(14(17)18)13(15(3,4)16)19-12(10)9(8)2/h5-7,13H,1-4H3,(H,17,18).
What are the key properties of 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid?
2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 143004395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).