4-(dimethylamino)benzoyl fluoride;ethane

C11H16FNO — CID 90963385

IUPAC4-(dimethylamino)benzoyl fluoride;ethane
SMILESCC.CN(C)c1ccc(C(=O)F)cc1
InChIInChI=1S/C9H10FNO.C2H6/c1-11(2)8-5-3-7(4-6-8)9(10)12;1-2/h3-6H,1-2H3;1-2H3
InChIKeyFXVZGDBIGKKSDO-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.89
Rot. Bonds2

About 4-(dimethylamino)benzoyl fluoride;ethane

4-(dimethylamino)benzoyl fluoride;ethane (PubChem CID 90963385) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-(dimethylamino)benzoyl fluoride;ethane.

Molecular Properties

Compound Name4-(dimethylamino)benzoyl fluoride;ethane
PubChem CID90963385
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-(dimethylamino)benzoyl fluoride;ethane
SMILESCC.CN(C)c1ccc(C(=O)F)cc1
InChIInChI=1S/C9H10FNO.C2H6/c1-11(2)8-5-3-7(4-6-8)9(10)12;1-2/h3-6H,1-2H3;1-2H3
InChIKeyFXVZGDBIGKKSDO-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.89
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-[4-(dimethylamino)phenyl]-2,3-difluoroprop-2-enoic acid
CID 71401166
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
4-(dimethylamino)benzoic acid;ethanamine
CID 159433676
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
CID 161487029

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzoyl fluoride;ethane?
The IUPAC name of 4-(dimethylamino)benzoyl fluoride;ethane (CID 90963385) is 4-(dimethylamino)benzoyl fluoride;ethane.
What is the SMILES notation for 4-(dimethylamino)benzoyl fluoride;ethane?
The canonical SMILES for 4-(dimethylamino)benzoyl fluoride;ethane is CC.CN(C)c1ccc(C(=O)F)cc1.
What is the InChIKey of 4-(dimethylamino)benzoyl fluoride;ethane?
The InChIKey is FXVZGDBIGKKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO.C2H6/c1-11(2)8-5-3-7(4-6-8)9(10)12;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 4-(dimethylamino)benzoyl fluoride;ethane?
4-(dimethylamino)benzoyl fluoride;ethane has a molecular weight of 197.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzoyl fluoride;ethane is sourced from PubChem (CID 90963385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).