N-(1-fluoro-2-oxopentan-3-yl)formamide

C6H10FNO2 — CID 142098614

IUPACN-(1-fluoro-2-oxopentan-3-yl)formamide
SMILESCCC(NC=O)C(=O)CF
InChIInChI=1S/C6H10FNO2/c1-2-5(8-4-9)6(10)3-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyXLHOONHQQKQEOD-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.05
Rot. Bonds5

About N-(1-fluoro-2-oxopentan-3-yl)formamide

N-(1-fluoro-2-oxopentan-3-yl)formamide (PubChem CID 142098614) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is N-(1-fluoro-2-oxopentan-3-yl)formamide.

Molecular Properties

Compound NameN-(1-fluoro-2-oxopentan-3-yl)formamide
PubChem CID142098614
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC NameN-(1-fluoro-2-oxopentan-3-yl)formamide
SMILESCCC(NC=O)C(=O)CF
InChIInChI=1S/C6H10FNO2/c1-2-5(8-4-9)6(10)3-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyXLHOONHQQKQEOD-UHFFFAOYSA-N
XLogP0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-oxopentan-3-yl)formamide?
The IUPAC name of N-(1-fluoro-2-oxopentan-3-yl)formamide (CID 142098614) is N-(1-fluoro-2-oxopentan-3-yl)formamide.
What is the SMILES notation for N-(1-fluoro-2-oxopentan-3-yl)formamide?
The canonical SMILES for N-(1-fluoro-2-oxopentan-3-yl)formamide is CCC(NC=O)C(=O)CF.
What is the InChIKey of N-(1-fluoro-2-oxopentan-3-yl)formamide?
The InChIKey is XLHOONHQQKQEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-2-5(8-4-9)6(10)3-7/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(1-fluoro-2-oxopentan-3-yl)formamide?
N-(1-fluoro-2-oxopentan-3-yl)formamide has a molecular weight of 147.15 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-oxopentan-3-yl)formamide is sourced from PubChem (CID 142098614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).