3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide

C10H13F3N2O — CID 143657670

IUPAC3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
SMILESC=C/C=C(\C=C)NC(=O)CC(N)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-3-5-7(4-2)15-9(16)6-8(14)10(11,12)13/h3-5,8H,1-2,6,14H2,(H,15,16)/b7-5+
InChIKeyQFMWANBGRWFHDS-FNORWQNLSA-N
MW234.22 g/mol
LogP1.64
Rot. Bonds5

About 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide

3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide (PubChem CID 143657670) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
PubChem CID143657670
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
SMILESC=C/C=C(\C=C)NC(=O)CC(N)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-3-5-7(4-2)15-9(16)6-8(14)10(11,12)13/h3-5,8H,1-2,6,14H2,(H,15,16)/b7-5+
InChIKeyQFMWANBGRWFHDS-FNORWQNLSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;propane
CID 143474945
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 143474971
[(3E)-hexa-1,3,5-trien-3-yl]urea
CID 143228458
N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide
CID 143389329
4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide
CID 142586076
4-amino-1,1,1,5,5,5-hexafluoropentan-2-one
CID 163555520
3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide
CID 58772889
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]acetic acid
CID 144971158
N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
CID 122661471
ethane;1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide
CID 143768486
methyl 4-oxo-2-(trifluoromethyl)hex-5-enoate
CID 91926714

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide?
The IUPAC name of 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide (CID 143657670) is 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide?
The canonical SMILES for 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide is C=C/C=C(\C=C)NC(=O)CC(N)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide?
The InChIKey is QFMWANBGRWFHDS-FNORWQNLSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-3-5-7(4-2)15-9(16)6-8(14)10(11,12)13/h3-5,8H,1-2,6,14H2,(H,15,16)/b7-5+.
What are the key properties of 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide?
3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide has a molecular weight of 234.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide is sourced from PubChem (CID 143657670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).