3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene

C17H18F2 — CID 164927245

IUPAC3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene
SMILESCc1cc(-c2ccccc2)c(F)c(C(C)(C)C)c1F
InChIInChI=1S/C17H18F2/c1-11-10-13(12-8-6-5-7-9-12)16(19)14(15(11)18)17(2,3)4/h5-10H,1-4H3
InChIKeyUFWDIZFCOBZIHN-UHFFFAOYSA-N
MW260.33 g/mol
LogP5.24
Rot. Bonds1

About 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene

3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene (PubChem CID 164927245) has the molecular formula C17H18F2 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene.

Molecular Properties

Compound Name3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene
PubChem CID164927245
Molecular FormulaC17H18F2
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene
SMILESCc1cc(-c2ccccc2)c(F)c(C(C)(C)C)c1F
InChIInChI=1S/C17H18F2/c1-11-10-13(12-8-6-5-7-9-12)16(19)14(15(11)18)17(2,3)4/h5-10H,1-4H3
InChIKeyUFWDIZFCOBZIHN-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.33
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-1-fluoro-3-methyl-4-phenylbenzene
CID 164927276
2-tert-butyl-1,3-dimethyl-4-phenylbenzene
CID 164927310
4-tert-butyl-5-fluoro-6-phenyl-1H-benzimidazole
CID 164927244
(4-fluoro-3-methyl-5-phenylphenyl)boronic acid
CID 164891668
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene
CID 173305938
2,3,4-tritert-butyl-6-phenylaniline
CID 175575681
1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
CID 59814152
2-tert-butyl-3,5-dimethyl-4-phenylphenol
CID 142778103
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene?
The IUPAC name of 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene (CID 164927245) is 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene.
What is the SMILES notation for 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene?
The canonical SMILES for 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene is Cc1cc(-c2ccccc2)c(F)c(C(C)(C)C)c1F.
What is the InChIKey of 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene?
The InChIKey is UFWDIZFCOBZIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2/c1-11-10-13(12-8-6-5-7-9-12)16(19)14(15(11)18)17(2,3)4/h5-10H,1-4H3.
What are the key properties of 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene?
3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene has a molecular weight of 260.33 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene is sourced from PubChem (CID 164927245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).