3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate

C15H11F2O2- — CID 152763635

IUPAC3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate
SMILESO=C([O-])C1(c2ccc3ccccc3c2)CC(F)(F)C1
InChIInChI=1S/C15H12F2O2/c16-15(17)8-14(9-15,13(18)19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H,18,19)/p-1
InChIKeyKCUCMXVKOGSRBQ-UHFFFAOYSA-M
MW261.25 g/mol
LogP2.26
Rot. Bonds2

About 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate

3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate (PubChem CID 152763635) has the molecular formula C15H11F2O2- and a molecular weight of 261.25 g/mol. Its IUPAC name is 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate
PubChem CID152763635
Molecular FormulaC15H11F2O2-
Molecular Weight261.25 g/mol
Exact Mass261.07
IUPAC Name3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate
SMILESO=C([O-])C1(c2ccc3ccccc3c2)CC(F)(F)C1
InChIInChI=1S/C15H12F2O2/c16-15(17)8-14(9-15,13(18)19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H,18,19)/p-1
InChIKeyKCUCMXVKOGSRBQ-UHFFFAOYSA-M
XLogP2.26
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate?
The IUPAC name of 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate (CID 152763635) is 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate.
What is the SMILES notation for 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate?
The canonical SMILES for 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate is O=C([O-])C1(c2ccc3ccccc3c2)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate?
The InChIKey is KCUCMXVKOGSRBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12F2O2/c16-15(17)8-14(9-15,13(18)19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H,18,19)/p-1.
What are the key properties of 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate?
3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 152763635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).