1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene

C19H22F2 — CID 170063284

IUPAC1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene
SMILESCCc1cc(F)c(F)cc1[C@@H](c1ccccc1C)C(C)C
InChIInChI=1S/C19H22F2/c1-5-14-10-17(20)18(21)11-16(14)19(12(2)3)15-9-7-6-8-13(15)4/h6-12,19H,5H2,1-4H3/t19-/m1/s1
InChIKeyWSDSYYNPPJHGID-LJQANCHMSA-N
MW288.38 g/mol
LogP5.62
Rot. Bonds4

About 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene

1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene (PubChem CID 170063284) has the molecular formula C19H22F2 and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene
PubChem CID170063284
Molecular FormulaC19H22F2
Molecular Weight288.38 g/mol
Exact Mass288.17
IUPAC Name1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene
SMILESCCc1cc(F)c(F)cc1[C@@H](c1ccccc1C)C(C)C
InChIInChI=1S/C19H22F2/c1-5-14-10-17(20)18(21)11-16(14)19(12(2)3)15-9-7-6-8-13(15)4/h6-12,19H,5H2,1-4H3/t19-/m1/s1
InChIKeyWSDSYYNPPJHGID-LJQANCHMSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
1-ethyl-2-[1-(2-methylphenyl)propyl]benzene
CID 18968346
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
isocyanic acid;1-methyl-2-propan-2-ylbenzene
CID 173083871
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene?
The IUPAC name of 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene (CID 170063284) is 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene.
What is the SMILES notation for 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene?
The canonical SMILES for 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene is CCc1cc(F)c(F)cc1[C@@H](c1ccccc1C)C(C)C.
What is the InChIKey of 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene?
The InChIKey is WSDSYYNPPJHGID-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22F2/c1-5-14-10-17(20)18(21)11-16(14)19(12(2)3)15-9-7-6-8-13(15)4/h6-12,19H,5H2,1-4H3/t19-/m1/s1.
What are the key properties of 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene?
1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene has a molecular weight of 288.38 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-difluoro-2-[(1R)-2-methyl-1-(2-methylphenyl)propyl]benzene is sourced from PubChem (CID 170063284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).