CID 6330703

C8H8FNNaO2 — CID 6330703

IUPAC—
SMILESNc1cc(F)ccc1CC(=O)O.[Na]
InChIInChI=1S/C8H8FNO2.Na/c9-6-2-1-5(3-8(11)12)7(10)4-6;/h1-2,4H,3,10H2,(H,11,12);
InChIKeyFVWKVXJFQNUGEH-UHFFFAOYSA-N
MW192.15 g/mol
LogP0.65
Rot. Bonds2

About CID 6330703

CID 6330703 (PubChem CID 6330703) has the molecular formula C8H8FNNaO2 and a molecular weight of 192.15 g/mol.

Molecular Properties

Compound NameCID 6330703
PubChem CID6330703
Molecular FormulaC8H8FNNaO2
Molecular Weight192.15 g/mol
Exact Mass192.04
IUPAC Name—
SMILESNc1cc(F)ccc1CC(=O)O.[Na]
InChIInChI=1S/C8H8FNO2.Na/c9-6-2-1-5(3-8(11)12)7(10)4-6;/h1-2,4H,3,10H2,(H,11,12);
InChIKeyFVWKVXJFQNUGEH-UHFFFAOYSA-N
XLogP0.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-fluorophenyl)-3-chloropropan-2-one
CID 130837810
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
1-(2-amino-4-fluorophenyl)-4-chlorobutan-2-one
CID 70088717
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
5-fluoro-2-(fluoromethyl)aniline
CID 91883417
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
(2-amino-4-fluorophenyl)methanesulfinic acid
CID 174464385
2-[5-fluoro-2-(iodomethyl)phenyl]acetic acid
CID 91883853
2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460486
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
2-(2-amino-4,6-difluorophenyl)acetic acid
CID 121232026

Frequently Asked Questions

What is the IUPAC name of CID 6330703?
The IUPAC name of CID 6330703 (CID 6330703) is not available.
What is the SMILES notation for CID 6330703?
The canonical SMILES for CID 6330703 is Nc1cc(F)ccc1CC(=O)O.[Na].
What is the InChIKey of CID 6330703?
The InChIKey is FVWKVXJFQNUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2.Na/c9-6-2-1-5(3-8(11)12)7(10)4-6;/h1-2,4H,3,10H2,(H,11,12);.
What are the key properties of CID 6330703?
CID 6330703 has a molecular weight of 192.15 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330703 is sourced from PubChem (CID 6330703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).