cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate

C17H16F2O2 — CID 138973248

IUPACcyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate
SMILESO=C(OCC1CC1)C(c1ccc2ccccc2c1)C(F)F
InChIInChI=1S/C17H16F2O2/c18-16(19)15(17(20)21-10-11-5-6-11)14-8-7-12-3-1-2-4-13(12)9-14/h1-4,7-9,11,15-16H,5-6,10H2
InChIKeyJXZQXYBWSZORHV-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.14
Rot. Bonds5

About cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate

cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate (PubChem CID 138973248) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namecyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate
PubChem CID138973248
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Namecyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate
SMILESO=C(OCC1CC1)C(c1ccc2ccccc2c1)C(F)F
InChIInChI=1S/C17H16F2O2/c18-16(19)15(17(20)21-10-11-5-6-11)14-8-7-12-3-1-2-4-13(12)9-14/h1-4,7-9,11,15-16H,5-6,10H2
InChIKeyJXZQXYBWSZORHV-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate?
The IUPAC name of cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate (CID 138973248) is cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate.
What is the SMILES notation for cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate?
The canonical SMILES for cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate is O=C(OCC1CC1)C(c1ccc2ccccc2c1)C(F)F.
What is the InChIKey of cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate?
The InChIKey is JXZQXYBWSZORHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c18-16(19)15(17(20)21-10-11-5-6-11)14-8-7-12-3-1-2-4-13(12)9-14/h1-4,7-9,11,15-16H,5-6,10H2.
What are the key properties of cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate?
cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate has a molecular weight of 290.31 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3,3-difluoro-2-naphthalen-2-ylpropanoate is sourced from PubChem (CID 138973248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).