(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C15H18F2O — CID 107515193

IUPAC(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1ccc(C(=O)C2C(C)(C)C2(C)C)c(F)c1F
InChIInChI=1S/C15H18F2O/c1-8-6-7-9(11(17)10(8)16)12(18)13-14(2,3)15(13,4)5/h6-7,13H,1-5H3
InChIKeyDSJNHZLVQDMPNR-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.14
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 107515193) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID107515193
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1ccc(C(=O)C2C(C)(C)C2(C)C)c(F)c1F
InChIInChI=1S/C15H18F2O/c1-8-6-7-9(11(17)10(8)16)12(18)13-14(2,3)15(13,4)5/h6-7,13H,1-5H3
InChIKeyDSJNHZLVQDMPNR-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 54428500
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
(2,3-difluoro-4-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107512751
[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone
CID 134358800
(2-bromo-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515094
2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 107514954
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
3-(2,3-difluoro-4-methylphenyl)-3-oxopropanoic acid
CID 170887172

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 107515193) is (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is Cc1ccc(C(=O)C2C(C)(C)C2(C)C)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is DSJNHZLVQDMPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c1-8-6-7-9(11(17)10(8)16)12(18)13-14(2,3)15(13,4)5/h6-7,13H,1-5H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 252.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 107515193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).