(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride

C6H7F4NO — CID 177424465

IUPAC(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride
SMILESCN(C)/C=C(/C(=O)F)C(F)(F)F
InChIInChI=1S/C6H7F4NO/c1-11(2)3-4(5(7)12)6(8,9)10/h3H,1-2H3/b4-3-
InChIKeyQIAXULVZXCCIOU-ARJAWSKDSA-N
MW185.12 g/mol
LogP1.49
Rot. Bonds2

About (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride

(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride (PubChem CID 177424465) has the molecular formula C6H7F4NO and a molecular weight of 185.12 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride
PubChem CID177424465
Molecular FormulaC6H7F4NO
Molecular Weight185.12 g/mol
Exact Mass185.05
IUPAC Name(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride
SMILESCN(C)/C=C(/C(=O)F)C(F)(F)F
InChIInChI=1S/C6H7F4NO/c1-11(2)3-4(5(7)12)6(8,9)10/h3H,1-2H3/b4-3-
InChIKeyQIAXULVZXCCIOU-ARJAWSKDSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(dimethylamino)-1,1,1-trifluoro-3-iodobut-3-en-2-one
CID 134996148
(3Z)-1,1,1-trichloro-3-(dimethylaminomethylidene)-5,5,5-trifluoropentane-2,4-dione
CID 135009627
2-(dimethylaminomethylidene)-4,4,5,5,5-pentafluoro-3-oxopentanenitrile
CID 59146508
2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide
CID 12661114
N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride
CID 135080758
(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethyl-2-(trifluoromethyl)prop-2-ene-1,1,3-triamine
CID 141113523
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
CID 159443818
(E)-1-(3,5-dichlorophenyl)-3-(dimethylamino)-2-(trifluoromethoxy)prop-2-en-1-one
CID 91926172
4-(dimethylamino)-1,1,1-trifluoro-3-pyridin-4-ylbut-3-en-2-one
CID 70074758
[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride
CID 85377738
methyl (Z)-3-(dimethylamino)-2-(trifluoromethylsulfanyl)prop-2-enoate
CID 132500231

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride?
The IUPAC name of (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride (CID 177424465) is (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride.
What is the SMILES notation for (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride?
The canonical SMILES for (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride is CN(C)/C=C(/C(=O)F)C(F)(F)F.
What is the InChIKey of (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride?
The InChIKey is QIAXULVZXCCIOU-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H7F4NO/c1-11(2)3-4(5(7)12)6(8,9)10/h3H,1-2H3/b4-3-.
What are the key properties of (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride?
(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride has a molecular weight of 185.12 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride is sourced from PubChem (CID 177424465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).