2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one

C14H15FO2 — CID 114674564

IUPAC2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one
SMILESCC1(CC2CC2)CC(=O)c2ccc(F)cc2O1
InChIInChI=1S/C14H15FO2/c1-14(7-9-2-3-9)8-12(16)11-5-4-10(15)6-13(11)17-14/h4-6,9H,2-3,7-8H2,1H3
InChIKeyAWHWIKPJFBINLX-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.35
Rot. Bonds2

About 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one

2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one (PubChem CID 114674564) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one
PubChem CID114674564
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one
SMILESCC1(CC2CC2)CC(=O)c2ccc(F)cc2O1
InChIInChI=1S/C14H15FO2/c1-14(7-9-2-3-9)8-12(16)11-5-4-10(15)6-13(11)17-14/h4-6,9H,2-3,7-8H2,1H3
InChIKeyAWHWIKPJFBINLX-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one?
The IUPAC name of 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one (CID 114674564) is 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one?
The canonical SMILES for 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one is CC1(CC2CC2)CC(=O)c2ccc(F)cc2O1.
What is the InChIKey of 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one?
The InChIKey is AWHWIKPJFBINLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c1-14(7-9-2-3-9)8-12(16)11-5-4-10(15)6-13(11)17-14/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one?
2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one has a molecular weight of 234.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one is sourced from PubChem (CID 114674564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).