1-(difluoromethyl)-4-methylnaphthalene

C12H10F2 — CID 53408199

IUPAC1-(difluoromethyl)-4-methylnaphthalene
SMILESCc1ccc(C(F)F)c2ccccc12
InChIInChI=1S/C12H10F2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,12H,1H3
InChIKeyHIAZKKZLEVLELB-UHFFFAOYSA-N
MW192.21 g/mol
LogP4.09
Rot. Bonds1

About 1-(difluoromethyl)-4-methylnaphthalene

1-(difluoromethyl)-4-methylnaphthalene (PubChem CID 53408199) has the molecular formula C12H10F2 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methylnaphthalene.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methylnaphthalene
PubChem CID53408199
Molecular FormulaC12H10F2
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-(difluoromethyl)-4-methylnaphthalene
SMILESCc1ccc(C(F)F)c2ccccc12
InChIInChI=1S/C12H10F2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,12H,1H3
InChIKeyHIAZKKZLEVLELB-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methylnaphthalene?
The IUPAC name of 1-(difluoromethyl)-4-methylnaphthalene (CID 53408199) is 1-(difluoromethyl)-4-methylnaphthalene.
What is the SMILES notation for 1-(difluoromethyl)-4-methylnaphthalene?
The canonical SMILES for 1-(difluoromethyl)-4-methylnaphthalene is Cc1ccc(C(F)F)c2ccccc12.
What is the InChIKey of 1-(difluoromethyl)-4-methylnaphthalene?
The InChIKey is HIAZKKZLEVLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,12H,1H3.
What are the key properties of 1-(difluoromethyl)-4-methylnaphthalene?
1-(difluoromethyl)-4-methylnaphthalene has a molecular weight of 192.21 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methylnaphthalene is sourced from PubChem (CID 53408199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).