2,4-difluoro-1-(2-methylhexan-2-yl)benzene

C13H18F2 — CID 166973409

IUPAC2,4-difluoro-1-(2-methylhexan-2-yl)benzene
SMILESCCCCC(C)(C)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2/c1-4-5-8-13(2,3)11-7-6-10(14)9-12(11)15/h6-7,9H,4-5,8H2,1-3H3
InChIKeyBHNADDRAMGKGDV-UHFFFAOYSA-N
MW212.28 g/mol
LogP4.43
Rot. Bonds4

About 2,4-difluoro-1-(2-methylhexan-2-yl)benzene

2,4-difluoro-1-(2-methylhexan-2-yl)benzene (PubChem CID 166973409) has the molecular formula C13H18F2 and a molecular weight of 212.28 g/mol. Its IUPAC name is 2,4-difluoro-1-(2-methylhexan-2-yl)benzene.

Molecular Properties

Compound Name2,4-difluoro-1-(2-methylhexan-2-yl)benzene
PubChem CID166973409
Molecular FormulaC13H18F2
Molecular Weight212.28 g/mol
Exact Mass212.14
IUPAC Name2,4-difluoro-1-(2-methylhexan-2-yl)benzene
SMILESCCCCC(C)(C)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2/c1-4-5-8-13(2,3)11-7-6-10(14)9-12(11)15/h6-7,9H,4-5,8H2,1-3H3
InChIKeyBHNADDRAMGKGDV-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
CID 174683734
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol
CID 67800857
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 116866432
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine
CID 64558725
4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline
CID 172841035

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(2-methylhexan-2-yl)benzene?
The IUPAC name of 2,4-difluoro-1-(2-methylhexan-2-yl)benzene (CID 166973409) is 2,4-difluoro-1-(2-methylhexan-2-yl)benzene.
What is the SMILES notation for 2,4-difluoro-1-(2-methylhexan-2-yl)benzene?
The canonical SMILES for 2,4-difluoro-1-(2-methylhexan-2-yl)benzene is CCCCC(C)(C)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-(2-methylhexan-2-yl)benzene?
The InChIKey is BHNADDRAMGKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2/c1-4-5-8-13(2,3)11-7-6-10(14)9-12(11)15/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 2,4-difluoro-1-(2-methylhexan-2-yl)benzene?
2,4-difluoro-1-(2-methylhexan-2-yl)benzene has a molecular weight of 212.28 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(2-methylhexan-2-yl)benzene is sourced from PubChem (CID 166973409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).