N-(2-fluoroethyl)-N-propylformamide

C6H12FNO — CID 174927054

IUPACN-(2-fluoroethyl)-N-propylformamide
SMILESCCCN(C=O)CCF
InChIInChI=1S/C6H12FNO/c1-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3
InChIKeyNWQQNIWVMZTMEG-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.82
Rot. Bonds5

About N-(2-fluoroethyl)-N-propylformamide

N-(2-fluoroethyl)-N-propylformamide (PubChem CID 174927054) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-propylformamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-propylformamide
PubChem CID174927054
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-(2-fluoroethyl)-N-propylformamide
SMILESCCCN(C=O)CCF
InChIInChI=1S/C6H12FNO/c1-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3
InChIKeyNWQQNIWVMZTMEG-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-fluoroethyl)-N-propylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethylformamide
CID 12051
N,N-Dipropylformamide
CID 22687
Methylbutylformamide
CID 14230
Diethylcarbamoyl fluoride
CID 12750942
N-isopropyl-N-n-propylformamide
CID 19070657
N-methyl-N-propylcarbamoyl fluoride
CID 18737102
N-Methyl-N-propylformamide
CID 19070644
N,N-bis(2,3-difluoropropyl)formamide
CID 21311164
N-ethyl-N-(2,2,2-trifluoroethyl)formamide
CID 54553159
N,N-bis(2-fluoroethyl)formamide
CID 57432587
CID 59886665
CID 59886665
N-methyl-N-(3,3,3-trifluoropropyl)formamide
CID 65545886

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-propylformamide?
The IUPAC name of N-(2-fluoroethyl)-N-propylformamide (CID 174927054) is N-(2-fluoroethyl)-N-propylformamide.
What is the SMILES notation for N-(2-fluoroethyl)-N-propylformamide?
The canonical SMILES for N-(2-fluoroethyl)-N-propylformamide is CCCN(C=O)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N-propylformamide?
The InChIKey is NWQQNIWVMZTMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-propylformamide?
N-(2-fluoroethyl)-N-propylformamide has a molecular weight of 133.17 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-propylformamide is sourced from PubChem (CID 174927054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).