5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene

C17H27F — CID 170013663

IUPAC5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cc(F)cc(C(C)C)c1C(C)C(C)C
InChIInChI=1S/C17H27F/c1-10(2)13(7)17-15(11(3)4)8-14(18)9-16(17)12(5)6/h8-13H,1-7H3
InChIKeyIGFWLSVXZJAPON-UHFFFAOYSA-N
MW250.40 g/mol
LogP5.83
Rot. Bonds4

About 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene

5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene (PubChem CID 170013663) has the molecular formula C17H27F and a molecular weight of 250.40 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene
PubChem CID170013663
Molecular FormulaC17H27F
Molecular Weight250.40 g/mol
Exact Mass250.21
IUPAC Name5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cc(F)cc(C(C)C)c1C(C)C(C)C
InChIInChI=1S/C17H27F/c1-10(2)13(7)17-15(11(3)4)8-14(18)9-16(17)12(5)6/h8-13H,1-7H3
InChIKeyIGFWLSVXZJAPON-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene?
The IUPAC name of 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene (CID 170013663) is 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene is CC(C)c1cc(F)cc(C(C)C)c1C(C)C(C)C.
What is the InChIKey of 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene?
The InChIKey is IGFWLSVXZJAPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F/c1-10(2)13(7)17-15(11(3)4)8-14(18)9-16(17)12(5)6/h8-13H,1-7H3.
What are the key properties of 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene?
5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene has a molecular weight of 250.40 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 170013663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).