2,2-difluoro-N-prop-2-enylpent-4-enamide

C8H11F2NO — CID 175182461

IUPAC2,2-difluoro-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)C(F)(F)CC=C
InChIInChI=1S/C8H11F2NO/c1-3-5-8(9,10)7(12)11-6-4-2/h3-4H,1-2,5-6H2,(H,11,12)
InChIKeyABMRTUOXGZVMOW-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.50
Rot. Bonds5

About 2,2-difluoro-N-prop-2-enylpent-4-enamide

2,2-difluoro-N-prop-2-enylpent-4-enamide (PubChem CID 175182461) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 2,2-difluoro-N-prop-2-enylpent-4-enamide.

Molecular Properties

Compound Name2,2-difluoro-N-prop-2-enylpent-4-enamide
PubChem CID175182461
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2,2-difluoro-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)C(F)(F)CC=C
InChIInChI=1S/C8H11F2NO/c1-3-5-8(9,10)7(12)11-6-4-2/h3-4H,1-2,5-6H2,(H,11,12)
InChIKeyABMRTUOXGZVMOW-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Heptafluorobutyramide, N-allyl
CID 534980
N-(4-Pentenyl)-2,2,2-trifluoroacetamide
CID 15104483
N-(But-3-enyl)-2,2,2-trifluoroacetamide
CID 53404779
N-(Prop-2-en-1-yl)pent-4-enamide
CID 13128362
2,2,2-trifluoro-N-hex-5-enylacetamide
CID 10488084
2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide
CID 134894143
N-propylpent-4-enamide
CID 17805708
3,3,3-trifluoro-N-prop-2-enylpropanamide
CID 22975874
4,4,4-trifluoro-N-prop-2-enylbutanamide
CID 65710764
2-ethyl-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 91227509
N-(2,2,2-trifluoroethyl)but-3-enamide
CID 123676208
2,2-difluoro-N-prop-2-enylpropanamide
CID 126975350

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-prop-2-enylpent-4-enamide?
The IUPAC name of 2,2-difluoro-N-prop-2-enylpent-4-enamide (CID 175182461) is 2,2-difluoro-N-prop-2-enylpent-4-enamide.
What is the SMILES notation for 2,2-difluoro-N-prop-2-enylpent-4-enamide?
The canonical SMILES for 2,2-difluoro-N-prop-2-enylpent-4-enamide is C=CCNC(=O)C(F)(F)CC=C.
What is the InChIKey of 2,2-difluoro-N-prop-2-enylpent-4-enamide?
The InChIKey is ABMRTUOXGZVMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-3-5-8(9,10)7(12)11-6-4-2/h3-4H,1-2,5-6H2,(H,11,12).
What are the key properties of 2,2-difluoro-N-prop-2-enylpent-4-enamide?
2,2-difluoro-N-prop-2-enylpent-4-enamide has a molecular weight of 175.18 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-prop-2-enylpent-4-enamide is sourced from PubChem (CID 175182461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).