N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide

C7H10F3NO — CID 130949338

IUPACN-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-4-5(12)11-6(2,3)7(8,9)10/h4H,1H2,2-3H3,(H,11,12)
InChIKeyVFCUFDMPICWLFF-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.63
Rot. Bonds2

About N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide

N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide (PubChem CID 130949338) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
PubChem CID130949338
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-4-5(12)11-6(2,3)7(8,9)10/h4H,1H2,2-3H3,(H,11,12)
InChIKeyVFCUFDMPICWLFF-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
2,2-dimethyl-1,1-bis(prop-2-enoylamino)propane-1-sulfonic acid
CID 163211981
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
CID 18920614
4,4-difluoropent-1-en-3-one
CID 89392918
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947
[2-methyl-2-(prop-2-enoylamino)propyl]boronic acid
CID 150077242

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide (CID 130949338) is N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide?
The InChIKey is VFCUFDMPICWLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-4-5(12)11-6(2,3)7(8,9)10/h4H,1H2,2-3H3,(H,11,12).
What are the key properties of N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide?
N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide has a molecular weight of 181.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 130949338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).