CID 59886665

C5H8FNO — CID 59886665

IUPAC—
SMILES[CH]N(CCC)C(=O)F
InChIInChI=1S/C5H8FNO/c1-3-4-7(2)5(6)8/h2H,3-4H2,1H3
InChIKeyUXXWHPJMPDUXJJ-UHFFFAOYSA-N
MW117.12 g/mol
LogP1.46
Rot. Bonds2

About CID 59886665

CID 59886665 (PubChem CID 59886665) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol.

Molecular Properties

Compound NameCID 59886665
PubChem CID59886665
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name—
SMILES[CH]N(CCC)C(=O)F
InChIInChI=1S/C5H8FNO/c1-3-4-7(2)5(6)8/h2H,3-4H2,1H3
InChIKeyUXXWHPJMPDUXJJ-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Diethylcarbamoyl fluoride
CID 12750942
N,N-di(propan-2-yl)carbamoyl fluoride
CID 135080715
N-(3-fluoropropyl)-N-methylcarbamoyl chloride
CID 165979594
N-methyl-N-propylcarbamoyl fluoride
CID 18737102
N-Methyl-N-propylformamide
CID 19070644
N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride
CID 54081738
N-methyl-N-(3,3,3-trifluoropropyl)formamide
CID 65545886
N-(2-fluoroethyl)-N-methylformamide
CID 87078395
N-propyl-N-(trifluoromethyl)formamide
CID 87321400
N-(difluoromethyl)-N-propylformamide
CID 87322441
N-methyl-N-(3-methylbutyl)carbamoyl fluoride
CID 89022465
N-ethyl-N-(fluoromethyl)carbamoyl fluoride
CID 89093586

Frequently Asked Questions

What is the IUPAC name of CID 59886665?
The IUPAC name of CID 59886665 (CID 59886665) is not available.
What is the SMILES notation for CID 59886665?
The canonical SMILES for CID 59886665 is [CH]N(CCC)C(=O)F.
What is the InChIKey of CID 59886665?
The InChIKey is UXXWHPJMPDUXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-3-4-7(2)5(6)8/h2H,3-4H2,1H3.
What are the key properties of CID 59886665?
CID 59886665 has a molecular weight of 117.12 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59886665 is sourced from PubChem (CID 59886665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).