2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid

C17H21FO2 — CID 57399703

IUPAC2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)CC2(CCCCC2)C1
InChIInChI=1S/C17H21FO2/c18-14-6-4-13(5-7-14)17(10-15(19)20)11-16(12-17)8-2-1-3-9-16/h4-7H,1-3,8-12H2,(H,19,20)
InChIKeyQDDYOAKFRDEMMV-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.28
Rot. Bonds3

About 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid

2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid (PubChem CID 57399703) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid
PubChem CID57399703
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)CC2(CCCCC2)C1
InChIInChI=1S/C17H21FO2/c18-14-6-4-13(5-7-14)17(10-15(19)20)11-16(12-17)8-2-1-3-9-16/h4-7H,1-3,8-12H2,(H,19,20)
InChIKeyQDDYOAKFRDEMMV-UHFFFAOYSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid (CID 57399703) is 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)CC2(CCCCC2)C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid?
The InChIKey is QDDYOAKFRDEMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c18-14-6-4-13(5-7-14)17(10-15(19)20)11-16(12-17)8-2-1-3-9-16/h4-7H,1-3,8-12H2,(H,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid?
2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid has a molecular weight of 276.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)spiro[3.5]nonan-2-yl]acetic acid is sourced from PubChem (CID 57399703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).