2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide

C5H6F3NO — CID 87842128

IUPAC2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/NC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H,1H3,(H,9,10)/b3-2+
InChIKeySXZSIXDQLJPEEE-NSCUHMNNSA-N
MW153.10 g/mol
LogP1.20
Rot. Bonds1

About 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide

2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide (PubChem CID 87842128) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide
PubChem CID87842128
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/NC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H,1H3,(H,9,10)/b3-2+
InChIKeySXZSIXDQLJPEEE-NSCUHMNNSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Vinyl-2,2,2-trifluoroacetamide
CID 11378531
(Z)-N-(prop-1-en-1-yl)acetamide
CID 5325885
(E)-N-(prop-1-en-1-yl)acetamide
CID 11804682
2,2,2-trifluoro-N-[(E)-hex-1-enyl]acetamide
CID 24822541
N-propenylacetamide
CID 53935447
2,2,2-trifluoro-N-propa-1,2-dienylacetamide
CID 90916009
N-[(1E)-2-fluorobuta-1,3-dienyl]acetamide
CID 117646394
2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide
CID 156685917
2,2,2-trifluoro-N-prop-1-enylacetamide
CID 162615523
2,2,2-trifluoro-N-[(Z)-prop-1-enyl]acetamide
CID 162535786
ethane;N-[(Z)-prop-1-enyl]acetamide
CID 142511758

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide (CID 87842128) is 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide is C/C=C/NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide?
The InChIKey is SXZSIXDQLJPEEE-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H,1H3,(H,9,10)/b3-2+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide?
2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide has a molecular weight of 153.10 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E)-prop-1-enyl]acetamide is sourced from PubChem (CID 87842128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).