N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride

C13H24FNO — CID 171733283

IUPACN-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride
SMILESCC(C)(C)C(CC1CCCCC1)NC(=O)F
InChIInChI=1S/C13H24FNO/c1-13(2,3)11(15-12(14)16)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyCVJVOXSGIAGUMI-UHFFFAOYSA-N
MW229.34 g/mol
LogP4.05
Rot. Bonds3

About N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride

N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride (PubChem CID 171733283) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride.

Molecular Properties

Compound NameN-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride
PubChem CID171733283
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC NameN-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride
SMILESCC(C)(C)C(CC1CCCCC1)NC(=O)F
InChIInChI=1S/C13H24FNO/c1-13(2,3)11(15-12(14)16)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyCVJVOXSGIAGUMI-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
CID 171608683
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide
CID 171608667
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
CID 171608649
N-[(3S)-1-cyclohexyl-4,4-dimethylpentan-3-yl]acetamide
CID 156887281
N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95628579
N-(2,2,5-trimethylhexan-3-yl)carbamoyl fluoride
CID 171608792
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide
CID 171733091
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)spiro[2.2]pentane-2-carboxamide
CID 171608681
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
CID 166401298
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride?
The IUPAC name of N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride (CID 171733283) is N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride.
What is the SMILES notation for N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride?
The canonical SMILES for N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride is CC(C)(C)C(CC1CCCCC1)NC(=O)F.
What is the InChIKey of N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride?
The InChIKey is CVJVOXSGIAGUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-13(2,3)11(15-12(14)16)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride?
N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride has a molecular weight of 229.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride is sourced from PubChem (CID 171733283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).