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GKDIURLUTJWWPA-UHFFFAOYSA-N

C15H12F2O — CID 22760371

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C15H12F2O/c1-10(18)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(16)17/h2-9,15H,1H3
InChIKeyGKDIURLUTJWWPA-UHFFFAOYSA-N
MW246.26 g/mol
LogP4.49
Rot. Bonds3

About GKDIURLUTJWWPA-UHFFFAOYSA-N

GKDIURLUTJWWPA-UHFFFAOYSA-N (PubChem CID 22760371) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound NameGKDIURLUTJWWPA-UHFFFAOYSA-N
PubChem CID22760371
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C15H12F2O/c1-10(18)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(16)17/h2-9,15H,1H3
InChIKeyGKDIURLUTJWWPA-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of GKDIURLUTJWWPA-UHFFFAOYSA-N?
The IUPAC name of GKDIURLUTJWWPA-UHFFFAOYSA-N (CID 22760371) is 1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for GKDIURLUTJWWPA-UHFFFAOYSA-N?
The canonical SMILES for GKDIURLUTJWWPA-UHFFFAOYSA-N is CC(=O)c1ccc(-c2ccc(C(F)F)cc2)cc1.
What is the InChIKey of GKDIURLUTJWWPA-UHFFFAOYSA-N?
The InChIKey is GKDIURLUTJWWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-10(18)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(16)17/h2-9,15H,1H3.
What are the key properties of GKDIURLUTJWWPA-UHFFFAOYSA-N?
GKDIURLUTJWWPA-UHFFFAOYSA-N has a molecular weight of 246.26 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for GKDIURLUTJWWPA-UHFFFAOYSA-N is sourced from PubChem (CID 22760371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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