N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide

C7H7F6NO — CID 19792331

IUPACN,N-bis(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H7F6NO/c1-2-5(15)14(3-6(8,9)10)4-7(11,12)13/h2H,1,3-4H2
InChIKeyRPTBCVPNQRHVSK-UHFFFAOYSA-N
MW235.13 g/mol
LogP2.13
Rot. Bonds3

About N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide

N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 19792331) has the molecular formula C7H7F6NO and a molecular weight of 235.13 g/mol. Its IUPAC name is N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID19792331
Molecular FormulaC7H7F6NO
Molecular Weight235.13 g/mol
Exact Mass235.04
IUPAC NameN,N-bis(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H7F6NO/c1-2-5(15)14(3-6(8,9)10)4-7(11,12)13/h2H,1,3-4H2
InChIKeyRPTBCVPNQRHVSK-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 52.13
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

N,N-Diallyl-2,2,2-trifluoroacetamide
CID 246339
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19821160
1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole
CID 334666
Allylamine, N,N-bis(trifluoroacetyl)-
CID 13843531
2H-Pyrrol-2-one, 5,5-difluoro-1,5-dihydro-1-methyl-
CID 11263511
2,2,2-Trifluoro-N-methyl-N-(prop-2-en-1-yl)acetamide
CID 19426657
N,N-Bis(2,2-difluoroethyl)acrylamide
CID 19792307
1-(2,2,3,3-Tetrafluoropropyl)pyrrole-2,5-dione
CID 19821163
N,N-bis(3,3-difluoropropyl)prop-2-enamide
CID 59289613
CID 59369588
CID 59369588
N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
CID 59782740
N-ethyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 61604527

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide (CID 19792331) is N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide is C=CC(=O)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is RPTBCVPNQRHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6NO/c1-2-5(15)14(3-6(8,9)10)4-7(11,12)13/h2H,1,3-4H2.
What are the key properties of N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide?
N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 235.13 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 19792331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).