2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid

C15H19FO3 — CID 3253645

IUPAC2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid
SMILESCC1(C)CC(CC(=O)O)(c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H19FO3/c1-14(2)10-15(7-8-19-14,9-13(17)18)11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyUHZWBWMYVNDOOX-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.13
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid

2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid (PubChem CID 3253645) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid
PubChem CID3253645
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid
SMILESCC1(C)CC(CC(=O)O)(c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H19FO3/c1-14(2)10-15(7-8-19-14,9-13(17)18)11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyUHZWBWMYVNDOOX-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid (CID 3253645) is 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid is CC1(C)CC(CC(=O)O)(c2ccc(F)cc2)CCO1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid?
The InChIKey is UHZWBWMYVNDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-14(2)10-15(7-8-19-14,9-13(17)18)11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid?
2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid has a molecular weight of 266.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetic acid is sourced from PubChem (CID 3253645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).