CID 134957663

C16H14FNO3 — CID 134957663

IUPAC—
SMILESCN1C(=O)[C@]2(C=CC3(CCCC3=O)O2)c2ccc(F)cc21
InChIInChI=1S/C16H14FNO3/c1-18-12-9-10(17)4-5-11(12)16(14(18)20)8-7-15(21-16)6-2-3-13(15)19/h4-5,7-9H,2-3,6H2,1H3/t15?,16-/m0/s1
InChIKeyKITXEPUCGJDDGK-LYKKTTPLSA-N
MW287.29 g/mol
LogP2.08
Rot. Bonds

About CID 134957663

CID 134957663 (PubChem CID 134957663) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol.

Molecular Properties

Compound NameCID 134957663
PubChem CID134957663
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name—
SMILESCN1C(=O)[C@]2(C=CC3(CCCC3=O)O2)c2ccc(F)cc21
InChIInChI=1S/C16H14FNO3/c1-18-12-9-10(17)4-5-11(12)16(14(18)20)8-7-15(21-16)6-2-3-13(15)19/h4-5,7-9H,2-3,6H2,1H3/t15?,16-/m0/s1
InChIKeyKITXEPUCGJDDGK-LYKKTTPLSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134957663?
The IUPAC name of CID 134957663 (CID 134957663) is not available.
What is the SMILES notation for CID 134957663?
The canonical SMILES for CID 134957663 is CN1C(=O)[C@]2(C=CC3(CCCC3=O)O2)c2ccc(F)cc21.
What is the InChIKey of CID 134957663?
The InChIKey is KITXEPUCGJDDGK-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-18-12-9-10(17)4-5-11(12)16(14(18)20)8-7-15(21-16)6-2-3-13(15)19/h4-5,7-9H,2-3,6H2,1H3/t15?,16-/m0/s1.
What are the key properties of CID 134957663?
CID 134957663 has a molecular weight of 287.29 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134957663 is sourced from PubChem (CID 134957663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).