1-nonan-2-yloxy-2-(trifluoromethyl)benzene

C16H23F3O — CID 130445178

IUPAC1-nonan-2-yloxy-2-(trifluoromethyl)benzene
SMILESCCCCCCCC(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3O/c1-3-4-5-6-7-10-13(2)20-15-12-9-8-11-14(15)16(17,18)19/h8-9,11-13H,3-7,10H2,1-2H3
InChIKeyWLSOZKJWZLXBNF-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.83
Rot. Bonds8

About 1-nonan-2-yloxy-2-(trifluoromethyl)benzene

1-nonan-2-yloxy-2-(trifluoromethyl)benzene (PubChem CID 130445178) has the molecular formula C16H23F3O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-nonan-2-yloxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-nonan-2-yloxy-2-(trifluoromethyl)benzene
PubChem CID130445178
Molecular FormulaC16H23F3O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-nonan-2-yloxy-2-(trifluoromethyl)benzene
SMILESCCCCCCCC(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3O/c1-3-4-5-6-7-10-13(2)20-15-12-9-8-11-14(15)16(17,18)19/h8-9,11-13H,3-7,10H2,1-2H3
InChIKeyWLSOZKJWZLXBNF-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.83
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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Related Compounds

1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
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1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
1-(difluoromethyl)-2-undecan-2-yloxybenzene
CID 150271588
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
2-[(2S)-octan-2-yl]oxybenzaldehyde
CID 36690507
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
decan-2-yloxybenzene
CID 12838331
1-(2-octan-2-yloxyphenyl)propan-1-amine
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1-heptadecan-2-yloxy-2-prop-1-en-2-ylbenzene
CID 142728021

Frequently Asked Questions

What is the IUPAC name of 1-nonan-2-yloxy-2-(trifluoromethyl)benzene?
The IUPAC name of 1-nonan-2-yloxy-2-(trifluoromethyl)benzene (CID 130445178) is 1-nonan-2-yloxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-nonan-2-yloxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-nonan-2-yloxy-2-(trifluoromethyl)benzene is CCCCCCCC(C)Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-nonan-2-yloxy-2-(trifluoromethyl)benzene?
The InChIKey is WLSOZKJWZLXBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O/c1-3-4-5-6-7-10-13(2)20-15-12-9-8-11-14(15)16(17,18)19/h8-9,11-13H,3-7,10H2,1-2H3.
What are the key properties of 1-nonan-2-yloxy-2-(trifluoromethyl)benzene?
1-nonan-2-yloxy-2-(trifluoromethyl)benzene has a molecular weight of 288.35 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-2-yloxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 130445178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).