(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene

C15H23F — CID 155030770

IUPAC(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
SMILESCC(C)CC(C)(C)C(C)(F)c1ccccc1
InChIInChI=1S/C15H23F/c1-12(2)11-14(3,4)15(5,16)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeyYNYNPLLSPRBJNT-UHFFFAOYSA-N
MW222.35 g/mol
LogP4.94
Rot. Bonds4

About (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene

(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene (PubChem CID 155030770) has the molecular formula C15H23F and a molecular weight of 222.35 g/mol. Its IUPAC name is (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene.

Molecular Properties

Compound Name(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
PubChem CID155030770
Molecular FormulaC15H23F
Molecular Weight222.35 g/mol
Exact Mass222.18
IUPAC Name(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
SMILESCC(C)CC(C)(C)C(C)(F)c1ccccc1
InChIInChI=1S/C15H23F/c1-12(2)11-14(3,4)15(5,16)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeyYNYNPLLSPRBJNT-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene?
The IUPAC name of (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene (CID 155030770) is (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene.
What is the SMILES notation for (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene?
The canonical SMILES for (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene is CC(C)CC(C)(C)C(C)(F)c1ccccc1.
What is the InChIKey of (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene?
The InChIKey is YNYNPLLSPRBJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F/c1-12(2)11-14(3,4)15(5,16)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3.
What are the key properties of (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene?
(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene has a molecular weight of 222.35 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3,3,5-trimethylhexan-2-yl)benzene is sourced from PubChem (CID 155030770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).