CID 134957607

C15H14FNO3 — CID 134957607

IUPAC—
SMILESCN1C(=O)[C@@]2(C=C[C@]3(CCCO3)O2)c2cc(F)ccc21
InChIInChI=1S/C15H14FNO3/c1-17-12-4-3-10(16)9-11(12)15(13(17)18)7-6-14(20-15)5-2-8-19-14/h3-4,6-7,9H,2,5,8H2,1H3/t14-,15+/m0/s1
InChIKeyXFCZPWFHSFSYFW-LSDHHAIUSA-N
MW275.28 g/mol
LogP2.09
Rot. Bonds

About CID 134957607

CID 134957607 (PubChem CID 134957607) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol.

Molecular Properties

Compound NameCID 134957607
PubChem CID134957607
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name—
SMILESCN1C(=O)[C@@]2(C=C[C@]3(CCCO3)O2)c2cc(F)ccc21
InChIInChI=1S/C15H14FNO3/c1-17-12-4-3-10(16)9-11(12)15(13(17)18)7-6-14(20-15)5-2-8-19-14/h3-4,6-7,9H,2,5,8H2,1H3/t14-,15+/m0/s1
InChIKeyXFCZPWFHSFSYFW-LSDHHAIUSA-N
XLogP2.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.09
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 134957607?
The IUPAC name of CID 134957607 (CID 134957607) is not available.
What is the SMILES notation for CID 134957607?
The canonical SMILES for CID 134957607 is CN1C(=O)[C@@]2(C=C[C@]3(CCCO3)O2)c2cc(F)ccc21.
What is the InChIKey of CID 134957607?
The InChIKey is XFCZPWFHSFSYFW-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-17-12-4-3-10(16)9-11(12)15(13(17)18)7-6-14(20-15)5-2-8-19-14/h3-4,6-7,9H,2,5,8H2,1H3/t14-,15+/m0/s1.
What are the key properties of CID 134957607?
CID 134957607 has a molecular weight of 275.28 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134957607 is sourced from PubChem (CID 134957607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).