4-(cyclobutylmethyl)-1,2-difluorobenzene

C11H12F2 — CID 58414524

IUPAC4-(cyclobutylmethyl)-1,2-difluorobenzene
SMILESFc1ccc(CC2CCC2)cc1F
InChIInChI=1S/C11H12F2/c12-10-5-4-9(7-11(10)13)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChIKeyROUHBQWVJFPYBZ-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.31
Rot. Bonds2

About 4-(cyclobutylmethyl)-1,2-difluorobenzene

4-(cyclobutylmethyl)-1,2-difluorobenzene (PubChem CID 58414524) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-1,2-difluorobenzene
PubChem CID58414524
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name4-(cyclobutylmethyl)-1,2-difluorobenzene
SMILESFc1ccc(CC2CCC2)cc1F
InChIInChI=1S/C11H12F2/c12-10-5-4-9(7-11(10)13)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChIKeyROUHBQWVJFPYBZ-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-1,2-difluorobenzene?
The IUPAC name of 4-(cyclobutylmethyl)-1,2-difluorobenzene (CID 58414524) is 4-(cyclobutylmethyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(cyclobutylmethyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(cyclobutylmethyl)-1,2-difluorobenzene is Fc1ccc(CC2CCC2)cc1F.
What is the InChIKey of 4-(cyclobutylmethyl)-1,2-difluorobenzene?
The InChIKey is ROUHBQWVJFPYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c12-10-5-4-9(7-11(10)13)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 4-(cyclobutylmethyl)-1,2-difluorobenzene?
4-(cyclobutylmethyl)-1,2-difluorobenzene has a molecular weight of 182.21 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-1,2-difluorobenzene is sourced from PubChem (CID 58414524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).