N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide

C10H16F3NO — CID 134988730

IUPACN,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)N(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-6(2)14(7(3)4)9(15)8(5)10(11,12)13/h6-7H,5H2,1-4H3
InChIKeyDCGMGQQAWFAUHI-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.75
Rot. Bonds3

About N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide

N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide (PubChem CID 134988730) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide
PubChem CID134988730
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)N(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-6(2)14(7(3)4)9(15)8(5)10(11,12)13/h6-7H,5H2,1-4H3
InChIKeyDCGMGQQAWFAUHI-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide (CID 134988730) is N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide is C=C(C(=O)N(C(C)C)C(C)C)C(F)(F)F.
What is the InChIKey of N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is DCGMGQQAWFAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-6(2)14(7(3)4)9(15)8(5)10(11,12)13/h6-7H,5H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide?
N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 223.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 134988730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).