2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride

C7H8F7NO — CID 12655952

IUPAC2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride
SMILESCN(C)CC(C(=O)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c1-15(2)3-5(4(8)16,6(9,10)11)7(12,13)14/h3H2,1-2H3
InChIKeyVGKGUOHNIYPJBX-UHFFFAOYSA-N
MW255.13 g/mol
LogP2.16
Rot. Bonds3

About 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride

2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride (PubChem CID 12655952) has the molecular formula C7H8F7NO and a molecular weight of 255.13 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride
PubChem CID12655952
Molecular FormulaC7H8F7NO
Molecular Weight255.13 g/mol
Exact Mass255.05
IUPAC Name2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride
SMILESCN(C)CC(C(=O)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c1-15(2)3-5(4(8)16,6(9,10)11)7(12,13)14/h3H2,1-2H3
InChIKeyVGKGUOHNIYPJBX-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride
CID 141425994
2-[Dimethylamino(difluoro)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
CID 157220921
3,3,3-trifluoro-N,N,2-trimethyl-2-(trifluoromethyl)propanamide
CID 4222435

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride?
The IUPAC name of 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride (CID 12655952) is 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride?
The canonical SMILES for 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride is CN(C)CC(C(=O)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride?
The InChIKey is VGKGUOHNIYPJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO/c1-15(2)3-5(4(8)16,6(9,10)11)7(12,13)14/h3H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride?
2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride has a molecular weight of 255.13 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride is sourced from PubChem (CID 12655952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).