3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide

C9H12F3NO — CID 176847603

IUPAC3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CC(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-3-5-13(6-4-2)8(14)7-9(10,11)12/h3-4H,1-2,5-7H2
InChIKeyFZXPZUDZCVGTRB-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.14
Rot. Bonds5

About 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide

3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide (PubChem CID 176847603) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
PubChem CID176847603
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CC(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-3-5-13(6-4-2)8(14)7-9(10,11)12/h3-4H,1-2,5-7H2
InChIKeyFZXPZUDZCVGTRB-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
5-[bis(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157304
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
CID 61235446
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
2-[(2-methylpropan-2-yl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 112604821
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
CID 140859392
CID 140859392
4-oxo-N,N-bis(prop-2-enyl)butanamide
CID 173364816
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
CID 119303350

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide (CID 176847603) is 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is FZXPZUDZCVGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-3-5-13(6-4-2)8(14)7-9(10,11)12/h3-4H,1-2,5-7H2.
What are the key properties of 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide?
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 207.19 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 176847603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).