(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide

C8H12F3NO — CID 162574267

IUPAC(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide
SMILESCC/C(=C\C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-4-6(8(9,10)11)5-7(13)12(2)3/h5H,4H2,1-3H3/b6-5+
InChIKeyYPKMISOLWGQDFN-AATRIKPKSA-N
MW195.18 g/mol
LogP1.97
Rot. Bonds2

About (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide

(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide (PubChem CID 162574267) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide
PubChem CID162574267
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide
SMILESCC/C(=C\C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-4-6(8(9,10)11)5-7(13)12(2)3/h5H,4H2,1-3H3/b6-5+
InChIKeyYPKMISOLWGQDFN-AATRIKPKSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate
CID 162574276
ethyl 3-(trifluoromethyl)pent-2-enoate
CID 76705621
3-chloro-N,N-dimethylbut-2-enamide
CID 137318656
3-ethyl-N,N-dimethylhept-2-enamide
CID 71421638
(E)-1-methoxy-2-(trifluoromethyl)but-1-ene
CID 135181225
(E)-1-(4-nitrophenyl)-3-(trifluoromethyl)pent-2-en-1-one
CID 170561816
N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide
CID 2752549
N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
CID 174488749
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
(Z)-3-amino-3-(dimethylamino)-N,N-dimethylprop-2-enamide
CID 88797723
(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
CID 167141623
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide (CID 162574267) is (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide is CC/C(=C\C(=O)N(C)C)C(F)(F)F.
What is the InChIKey of (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide?
The InChIKey is YPKMISOLWGQDFN-AATRIKPKSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-4-6(8(9,10)11)5-7(13)12(2)3/h5H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide?
(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide has a molecular weight of 195.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 162574267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).