4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol

C15H19F3O2 — CID 64566548

IUPAC4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)7-6-13(19)14(8-10-20-11-9-14)12-4-2-1-3-5-12/h1-5,13,19H,6-11H2
InChIKeyJQHIJHNSPHSCIK-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.44
Rot. Bonds4

About 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol

4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol (PubChem CID 64566548) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol
PubChem CID64566548
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)7-6-13(19)14(8-10-20-11-9-14)12-4-2-1-3-5-12/h1-5,13,19H,6-11H2
InChIKeyJQHIJHNSPHSCIK-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol (CID 64566548) is 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol is OC(CCC(F)(F)F)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol?
The InChIKey is JQHIJHNSPHSCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c16-15(17,18)7-6-13(19)14(8-10-20-11-9-14)12-4-2-1-3-5-12/h1-5,13,19H,6-11H2.
What are the key properties of 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol?
4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol is sourced from PubChem (CID 64566548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).