N-methyl-N-(3-methylbutyl)carbamoyl fluoride

C7H14FNO — CID 89022465

IUPACN-methyl-N-(3-methylbutyl)carbamoyl fluoride
SMILESCC(C)CCN(C)C(=O)F
InChIInChI=1S/C7H14FNO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3
InChIKeyFYHDYJQDLMQPSX-UHFFFAOYSA-N
MW147.19 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-N-(3-methylbutyl)carbamoyl fluoride

N-methyl-N-(3-methylbutyl)carbamoyl fluoride (PubChem CID 89022465) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)carbamoyl fluoride
PubChem CID89022465
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-methyl-N-(3-methylbutyl)carbamoyl fluoride
SMILESCC(C)CCN(C)C(=O)F
InChIInChI=1S/C7H14FNO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3
InChIKeyFYHDYJQDLMQPSX-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 52.05
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

N-methyl-N-propylcarbamoyl fluoride
CID 18737102
CID 59886665
CID 59886665
N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride
CID 88883733
N-butyl-N-methylcarbamoyl fluoride
CID 130266465
N-methyl-N-(2-methylbutyl)formamide
CID 54200737
N-methyl-N-(3-methylbutyl)formamide
CID 54215428
N-methyl-N-(3-methylbutyl)carbamoyl iodide
CID 118884575
N-methyl-N-[(2S)-2-methylbutyl]formamide
CID 148296819
N-methyl-N-[(2R)-2-methylbutyl]formamide
CID 169181512
N-methyl-N-(3-methylbutyl)carbamoyl bromide
CID 115193691

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)carbamoyl fluoride?
The IUPAC name of N-methyl-N-(3-methylbutyl)carbamoyl fluoride (CID 89022465) is N-methyl-N-(3-methylbutyl)carbamoyl fluoride.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)carbamoyl fluoride?
The canonical SMILES for N-methyl-N-(3-methylbutyl)carbamoyl fluoride is CC(C)CCN(C)C(=O)F.
What is the InChIKey of N-methyl-N-(3-methylbutyl)carbamoyl fluoride?
The InChIKey is FYHDYJQDLMQPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)carbamoyl fluoride?
N-methyl-N-(3-methylbutyl)carbamoyl fluoride has a molecular weight of 147.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)carbamoyl fluoride is sourced from PubChem (CID 89022465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).