(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone

C17H15ClF2O — CID 82772594

IUPAC(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2cc(F)c(Cl)cc2F)c1C
InChIInChI=1S/C17H15ClF2O/c1-8-5-9(2)11(4)16(10(8)3)17(21)12-6-15(20)13(18)7-14(12)19/h5-7H,1-4H3
InChIKeyGIOXKYFPNQGBFX-UHFFFAOYSA-N
MW308.76 g/mol
LogP5.08
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone

(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 82772594) has the molecular formula C17H15ClF2O and a molecular weight of 308.76 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID82772594
Molecular FormulaC17H15ClF2O
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2cc(F)c(Cl)cc2F)c1C
InChIInChI=1S/C17H15ClF2O/c1-8-5-9(2)11(4)16(10(8)3)17(21)12-6-15(20)13(18)7-14(12)19/h5-7H,1-4H3
InChIKeyGIOXKYFPNQGBFX-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.76
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107475846
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
CID 84784327
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43337332
(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 82772383
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone (CID 82772594) is (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)c2cc(F)c(Cl)cc2F)c1C.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is GIOXKYFPNQGBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2O/c1-8-5-9(2)11(4)16(10(8)3)17(21)12-6-15(20)13(18)7-14(12)19/h5-7H,1-4H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 308.76 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 82772594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).