(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone

C16H14F2O — CID 64985055

IUPAC(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C16H14F2O/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-14(17)15(18)8-12/h4-8H,1-3H3
InChIKeyKVFVZQKSJPOICR-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.12
Rot. Bonds2

About (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone

(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 64985055) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
PubChem CID64985055
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C16H14F2O/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-14(17)15(18)8-12/h4-8H,1-3H3
InChIKeyKVFVZQKSJPOICR-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone (CID 64985055) is (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc(F)c(F)c2)cc1C.
What is the InChIKey of (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is KVFVZQKSJPOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-14(17)15(18)8-12/h4-8H,1-3H3.
What are the key properties of (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone?
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 260.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 64985055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).