1-hexan-2-yloxy-4-(trifluoromethyl)benzene

C13H17F3O — CID 91318341

IUPAC1-hexan-2-yloxy-4-(trifluoromethyl)benzene
SMILESCCCCC(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3O/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h6-10H,3-5H2,1-2H3
InChIKeyBFZLVKZGXOTYNX-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.66
Rot. Bonds5

About 1-hexan-2-yloxy-4-(trifluoromethyl)benzene

1-hexan-2-yloxy-4-(trifluoromethyl)benzene (PubChem CID 91318341) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-hexan-2-yloxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-hexan-2-yloxy-4-(trifluoromethyl)benzene
PubChem CID91318341
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-hexan-2-yloxy-4-(trifluoromethyl)benzene
SMILESCCCCC(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3O/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h6-10H,3-5H2,1-2H3
InChIKeyBFZLVKZGXOTYNX-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yloxy-4-(trifluoromethyl)benzene?
The IUPAC name of 1-hexan-2-yloxy-4-(trifluoromethyl)benzene (CID 91318341) is 1-hexan-2-yloxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-hexan-2-yloxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-hexan-2-yloxy-4-(trifluoromethyl)benzene is CCCCC(C)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-hexan-2-yloxy-4-(trifluoromethyl)benzene?
The InChIKey is BFZLVKZGXOTYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-hexan-2-yloxy-4-(trifluoromethyl)benzene?
1-hexan-2-yloxy-4-(trifluoromethyl)benzene has a molecular weight of 246.27 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yloxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 91318341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).