N-methyl-N-propylcarbamoyl fluoride

C5H10FNO — CID 18737102

IUPACN-methyl-N-propylcarbamoyl fluoride
SMILESCCCN(C)C(=O)F
InChIInChI=1S/C5H10FNO/c1-3-4-7(2)5(6)8/h3-4H2,1-2H3
InChIKeyGSLCHHWHMUKPDX-UHFFFAOYSA-N
MW119.14 g/mol
LogP1.42
Rot. Bonds2

About N-methyl-N-propylcarbamoyl fluoride

N-methyl-N-propylcarbamoyl fluoride (PubChem CID 18737102) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is N-methyl-N-propylcarbamoyl fluoride.

Molecular Properties

Compound NameN-methyl-N-propylcarbamoyl fluoride
PubChem CID18737102
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC NameN-methyl-N-propylcarbamoyl fluoride
SMILESCCCN(C)C(=O)F
InChIInChI=1S/C5H10FNO/c1-3-4-7(2)5(6)8/h3-4H2,1-2H3
InChIKeyGSLCHHWHMUKPDX-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-propylformamide
CID 19070644
N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride
CID 54081738
CID 59886665
CID 59886665
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 N-methyl-N-propylcarbamoyl fluoride?
The IUPAC name of N-methyl-N-propylcarbamoyl fluoride (CID 18737102) is N-methyl-N-propylcarbamoyl fluoride.
What is the SMILES notation for N-methyl-N-propylcarbamoyl fluoride?
The canonical SMILES for N-methyl-N-propylcarbamoyl fluoride is CCCN(C)C(=O)F.
What is the InChIKey of N-methyl-N-propylcarbamoyl fluoride?
The InChIKey is GSLCHHWHMUKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-3-4-7(2)5(6)8/h3-4H2,1-2H3.
What are the key properties of N-methyl-N-propylcarbamoyl fluoride?
N-methyl-N-propylcarbamoyl fluoride has a molecular weight of 119.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylcarbamoyl fluoride is sourced from PubChem (CID 18737102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).