N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride

C5H9F2NO — CID 54081738

IUPACN-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride
SMILESCC(C)N(CF)C(=O)F
InChIInChI=1S/C5H9F2NO/c1-4(2)8(3-6)5(7)9/h4H,3H2,1-2H3
InChIKeyMNPIJTMYTJBMIT-UHFFFAOYSA-N
MW137.13 g/mol
LogP1.71
Rot. Bonds2

About N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride

N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride (PubChem CID 54081738) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride.

Molecular Properties

Compound NameN-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride
PubChem CID54081738
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC NameN-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride
SMILESCC(C)N(CF)C(=O)F
InChIInChI=1S/C5H9F2NO/c1-4(2)8(3-6)5(7)9/h4H,3H2,1-2H3
InChIKeyMNPIJTMYTJBMIT-UHFFFAOYSA-N
XLogP1.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 51.71
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

ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
CID 59404270
N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide
CID 58123085
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
CID 79886811
2-(diethylamino)propanoyl fluoride;hydrofluoride
CID 88650459
N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride
CID 145324405
2-oxoethyl(propan-2-yl)carbamic acid
CID 87170013
(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide
CID 61145665
2-aminoethyl(propan-2-yl)carbamic acid
CID 88850565

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride?
The IUPAC name of N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride (CID 54081738) is N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride.
What is the SMILES notation for N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride?
The canonical SMILES for N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride is CC(C)N(CF)C(=O)F.
What is the InChIKey of N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride?
The InChIKey is MNPIJTMYTJBMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-4(2)8(3-6)5(7)9/h4H,3H2,1-2H3.
What are the key properties of N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride?
N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride has a molecular weight of 137.13 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride is sourced from PubChem (CID 54081738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).