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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Related Compounds

1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
3-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 117050280
1-(1-naphthalen-2-ylcyclobutyl)propan-1-one
CID 174403861
potassium naphthalene-2-carboxylate
CID 23664129
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
3,3-difluoro-1-phenylcyclopentane-1-carboxylic acid
CID 105483674
1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443114
ethyl 3-naphthalen-2-yloxetane-3-carboxylate
CID 116875843
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-ylcyclopropan-1-amine
CID 12982597

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).