CID 177486911

C9H7FO2 — CID 177486911

IUPAC—
SMILESCOC(=O)[C]c1ccc(F)cc1
InChIInChI=1S/C9H7FO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKeyBPYSVAKFMFVTAL-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.43
Rot. Bonds2

About CID 177486911

CID 177486911 (PubChem CID 177486911) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol.

Molecular Properties

Compound NameCID 177486911
PubChem CID177486911
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name—
SMILESCOC(=O)[C]c1ccc(F)cc1
InChIInChI=1S/C9H7FO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKeyBPYSVAKFMFVTAL-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-(4-fluorophenyl)prop-2-ynoate
CID 165458920
CID 170307924
CID 170307924
methyl 2-(4-fluorophenoxy)acetate
CID 580550
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
2-oxopropyl 3-(4-fluorophenyl)prop-2-ynoate
CID 172809808
bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium
CID 164747709
[2-[3-(4-fluorophenyl)prop-2-ynoyl]phenyl] methyl carbonate
CID 154711217
ethyl N-[4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
CID 102582273
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
methyl 3-(3-chloro-5-fluorophenyl)prop-2-ynoate
CID 130055901
N-[3-(4-fluorophenyl)prop-2-ynyl]-3,5-dimethoxybenzamide
CID 90548123

Frequently Asked Questions

What is the IUPAC name of CID 177486911?
The IUPAC name of CID 177486911 (CID 177486911) is not available.
What is the SMILES notation for CID 177486911?
The canonical SMILES for CID 177486911 is COC(=O)[C]c1ccc(F)cc1.
What is the InChIKey of CID 177486911?
The InChIKey is BPYSVAKFMFVTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,1H3.
What are the key properties of CID 177486911?
CID 177486911 has a molecular weight of 166.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177486911 is sourced from PubChem (CID 177486911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).