2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide

C14H25FN2O — CID 171400395

IUPAC2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide
SMILESCCCC(CCC)=NNC(=O)C1CCCCC1F
InChIInChI=1S/C14H25FN2O/c1-3-7-11(8-4-2)16-17-14(18)12-9-5-6-10-13(12)15/h12-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyFZWQXGLHPNZYKT-UHFFFAOYSA-N
MW256.36 g/mol
LogP3.59
Rot. Bonds6

About 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide

2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide (PubChem CID 171400395) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide
PubChem CID171400395
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide
SMILESCCCC(CCC)=NNC(=O)C1CCCCC1F
InChIInChI=1S/C14H25FN2O/c1-3-7-11(8-4-2)16-17-14(18)12-9-5-6-10-13(12)15/h12-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyFZWQXGLHPNZYKT-UHFFFAOYSA-N
XLogP3.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 279809
Mls003115808
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Valeric acid, 2-propyl-, 2-isopropylidenehydrazide
CID 217059
Valeric acid, 2-propyl-, 2-cyclohexylidenehydrazide
CID 217061
4-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 456814
N'-(4-Methylcyclohexylidene)decanohydrazide
CID 4281495
5-methyl-4-pentyl-2,4-dihydro-3H-pyrazol-3-one
CID 13040301
5-heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one
CID 3045293
5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135195982
3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one
CID 135195985
N-[(E)-1-cyclohexylethylideneamino]-4-fluorocyclohexane-1-carboxamide
CID 171400387
N-[(Z)-1-(4-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide
CID 171400431

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide?
The IUPAC name of 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide (CID 171400395) is 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide is CCCC(CCC)=NNC(=O)C1CCCCC1F.
What is the InChIKey of 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide?
The InChIKey is FZWQXGLHPNZYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-3-7-11(8-4-2)16-17-14(18)12-9-5-6-10-13(12)15/h12-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide?
2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide has a molecular weight of 256.36 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 171400395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).