1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene

C16H15F3O — CID 56977062

IUPAC1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene
SMILESCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3O/c1-2-15(12-6-4-3-5-7-12)20-14-10-8-13(9-11-14)16(17,18)19/h3-11,15H,2H2,1H3
InChIKeyDZPZBNMCTQNIHU-UHFFFAOYSA-N
MW280.29 g/mol
LogP5.24
Rot. Bonds4

About 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene

1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene (PubChem CID 56977062) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene
PubChem CID56977062
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene
SMILESCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3O/c1-2-15(12-6-4-3-5-7-12)20-14-10-8-13(9-11-14)16(17,18)19/h3-11,15H,2H2,1H3
InChIKeyDZPZBNMCTQNIHU-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.29
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene (CID 56977062) is 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene is CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene?
The InChIKey is DZPZBNMCTQNIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-2-15(12-6-4-3-5-7-12)20-14-10-8-13(9-11-14)16(17,18)19/h3-11,15H,2H2,1H3.
What are the key properties of 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene?
1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene has a molecular weight of 280.29 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 56977062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).