4-hexyl-2-methoxy-1-(trifluoromethyl)benzene

C14H19F3O — CID 90733301

IUPAC4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
SMILESCCCCCCc1ccc(C(F)(F)F)c(OC)c1
InChIInChI=1S/C14H19F3O/c1-3-4-5-6-7-11-8-9-12(14(15,16)17)13(10-11)18-2/h8-10H,3-7H2,1-2H3
InChIKeyNUORDRUZUVMUMY-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.84
Rot. Bonds6

About 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene

4-hexyl-2-methoxy-1-(trifluoromethyl)benzene (PubChem CID 90733301) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
PubChem CID90733301
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
SMILESCCCCCCc1ccc(C(F)(F)F)c(OC)c1
InChIInChI=1S/C14H19F3O/c1-3-4-5-6-7-11-8-9-12(14(15,16)17)13(10-11)18-2/h8-10H,3-7H2,1-2H3
InChIKeyNUORDRUZUVMUMY-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene?
The IUPAC name of 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene (CID 90733301) is 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene is CCCCCCc1ccc(C(F)(F)F)c(OC)c1.
What is the InChIKey of 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene?
The InChIKey is NUORDRUZUVMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-3-4-5-6-7-11-8-9-12(14(15,16)17)13(10-11)18-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene?
4-hexyl-2-methoxy-1-(trifluoromethyl)benzene has a molecular weight of 260.30 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-methoxy-1-(trifluoromethyl)benzene is sourced from PubChem (CID 90733301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).