4,4-difluorobutylbenzene

C10H12F2 — CID 14909953

IUPAC4,4-difluorobutylbenzene
SMILESFC(F)CCCc1ccccc1
InChIInChI=1S/C10H12F2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyOKGZHVLJQPXHQR-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.27
Rot. Bonds4

About 4,4-difluorobutylbenzene

4,4-difluorobutylbenzene (PubChem CID 14909953) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 4,4-difluorobutylbenzene.

Molecular Properties

Compound Name4,4-difluorobutylbenzene
PubChem CID14909953
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name4,4-difluorobutylbenzene
SMILESFC(F)CCCc1ccccc1
InChIInChI=1S/C10H12F2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyOKGZHVLJQPXHQR-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorobutylbenzene?
The IUPAC name of 4,4-difluorobutylbenzene (CID 14909953) is 4,4-difluorobutylbenzene.
What is the SMILES notation for 4,4-difluorobutylbenzene?
The canonical SMILES for 4,4-difluorobutylbenzene is FC(F)CCCc1ccccc1.
What is the InChIKey of 4,4-difluorobutylbenzene?
The InChIKey is OKGZHVLJQPXHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 4,4-difluorobutylbenzene?
4,4-difluorobutylbenzene has a molecular weight of 170.20 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorobutylbenzene is sourced from PubChem (CID 14909953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).