2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene

C17H26F2 — CID 126703972

IUPAC2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene
SMILESCCC(C)(C)c1ccc(C(C)(CC)CC)c(F)c1F
InChIInChI=1S/C17H26F2/c1-7-16(4,5)12-10-11-13(15(19)14(12)18)17(6,8-2)9-3/h10-11H,7-9H2,1-6H3
InChIKeyKYLMPFMMLYCSQN-UHFFFAOYSA-N
MW268.39 g/mol
LogP5.73
Rot. Bonds5

About 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene

2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene (PubChem CID 126703972) has the molecular formula C17H26F2 and a molecular weight of 268.39 g/mol. Its IUPAC name is 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene
PubChem CID126703972
Molecular FormulaC17H26F2
Molecular Weight268.39 g/mol
Exact Mass268.20
IUPAC Name2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene
SMILESCCC(C)(C)c1ccc(C(C)(CC)CC)c(F)c1F
InChIInChI=1S/C17H26F2/c1-7-16(4,5)12-10-11-13(15(19)14(12)18)17(6,8-2)9-3/h10-11H,7-9H2,1-6H3
InChIKeyKYLMPFMMLYCSQN-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.39
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
CID 134560935
1,3-difluoro-4-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 155021913
2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene
CID 142335580
1,3-difluoro-2,4-bis(3-methylpentan-3-yl)benzene;2-(1,3-difluoro-2-methylpropan-2-yl)-1-fluoro-3-methyl-4-(3-methylpentan-3-yl)benzene
CID 157090169
3-ethyl-6-(2-methylbutan-2-yl)benzene-1,2-diol
CID 88982298
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine
CID 107514700
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
2-fluoro-3-(2-methylbutan-2-yl)pyridine
CID 146620582
1-tert-butyl-2-fluoro-4-(3-methylpentan-3-yl)benzene
CID 126704074

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene?
The IUPAC name of 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene (CID 126703972) is 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene.
What is the SMILES notation for 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene?
The canonical SMILES for 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene is CCC(C)(C)c1ccc(C(C)(CC)CC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene?
The InChIKey is KYLMPFMMLYCSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2/c1-7-16(4,5)12-10-11-13(15(19)14(12)18)17(6,8-2)9-3/h10-11H,7-9H2,1-6H3.
What are the key properties of 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene?
2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene has a molecular weight of 268.39 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene is sourced from PubChem (CID 126703972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).