(2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide

C14H19F2NO — CID 144683874

IUPAC(2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide
SMILESC=C(F)/C=C(\C=C(/C)F)C(=O)NC1CCCCC1
InChIInChI=1S/C14H19F2NO/c1-10(15)8-12(9-11(2)16)14(18)17-13-6-4-3-5-7-13/h8-9,13H,1,3-7H2,2H3,(H,17,18)/b11-9+,12-8+
InChIKeyXVUSKAYKISLKLW-FYDMFQIUSA-N
MW255.31 g/mol
LogP3.72
Rot. Bonds4

About (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide

(2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide (PubChem CID 144683874) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide
PubChem CID144683874
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide
SMILESC=C(F)/C=C(\C=C(/C)F)C(=O)NC1CCCCC1
InChIInChI=1S/C14H19F2NO/c1-10(15)8-12(9-11(2)16)14(18)17-13-6-4-3-5-7-13/h8-9,13H,1,3-7H2,2H3,(H,17,18)/b11-9+,12-8+
InChIKeyXVUSKAYKISLKLW-FYDMFQIUSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-difluorocyclohexyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 121021858
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
2-ethyl-N-(3,3,4,4,5,5,6,6-octafluorohexyl)but-2-enamide
CID 91047662
N-[4-[difluoro-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]cyclohexa-2,4-dien-1-yl]-2-(fluoromethyl)hept-2-enamide
CID 123372701
3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide
CID 123441843
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-1,3-diene-1-carboxamide
CID 123824367
N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 123846307
N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide
CID 123996263
N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 126663547
(2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide
CID 129276297
(2E,5E)-N-[4-[[[(2S)-1,1-difluoropropan-2-yl]amino]methyl]cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide
CID 129276506
(2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide
CID 134549568

Frequently Asked Questions

What is the IUPAC name of (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide (CID 144683874) is (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide is C=C(F)/C=C(\C=C(/C)F)C(=O)NC1CCCCC1.
What is the InChIKey of (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide?
The InChIKey is XVUSKAYKISLKLW-FYDMFQIUSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(15)8-12(9-11(2)16)14(18)17-13-6-4-3-5-7-13/h8-9,13H,1,3-7H2,2H3,(H,17,18)/b11-9+,12-8+.
What are the key properties of (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide?
(2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide has a molecular weight of 255.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-cyclohexyl-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 144683874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).