3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride

C8H14F3NO — CID 141425994

IUPAC3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride
SMILESCCN(CC)C(F)(F)C(C)C(=O)F
InChIInChI=1S/C8H14F3NO/c1-4-12(5-2)8(10,11)6(3)7(9)13/h6H,4-5H2,1-3H3
InChIKeySJCWZTHIGMYUGZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.05
Rot. Bonds5

About 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride

3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride (PubChem CID 141425994) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride.

Molecular Properties

Compound Name3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride
PubChem CID141425994
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride
SMILESCCN(CC)C(F)(F)C(C)C(=O)F
InChIInChI=1S/C8H14F3NO/c1-4-12(5-2)8(10,11)6(3)7(9)13/h6H,4-5H2,1-3H3
InChIKeySJCWZTHIGMYUGZ-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

beta-Dimethylamino-alpha,alpha-bis(trifluoromethyl)propionic acid fluoride
CID 12655952
4-(Diethylamino)-3,4,4-trifluorobutan-2-one
CID 20449861
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60758717
N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide
CID 87943413
3-(Diethylamino)-2-fluoropropanoyl fluoride
CID 88613986
3-(Diethylamino)-3-fluoropropanoyl fluoride
CID 88613987
3-(Dimethylamino)-2-methylpropanoyl fluoride
CID 139608244
3-(Dipropylamino)propanoyl fluoride
CID 153945521
3-(Dibutylamino)-2-methylpropanoyl fluoride
CID 153972715
4-Diethylamino-1,1,1-trifluorobutan-2-one
CID 2782516
N,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
CID 61381353
4-[Ethyl(2,2,2-trifluoroethyl)amino]butan-2-one
CID 61605612

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride?
The IUPAC name of 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride (CID 141425994) is 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride.
What is the SMILES notation for 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride?
The canonical SMILES for 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride is CCN(CC)C(F)(F)C(C)C(=O)F.
What is the InChIKey of 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride?
The InChIKey is SJCWZTHIGMYUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-4-12(5-2)8(10,11)6(3)7(9)13/h6H,4-5H2,1-3H3.
What are the key properties of 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride?
3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride has a molecular weight of 197.20 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3,3-difluoro-2-methylpropanoyl fluoride is sourced from PubChem (CID 141425994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).